0000000000117711

AUTHOR

Pipsa Hirva

showing 113 related works from this author

Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems

2015

The strength and nature of the S···Br and Br···Br interactions were systematically tuned by altering the electron donor properties of the thione group. Three new halogen-bonded compounds, [(N-methylbenzothiazole-2-thione)Br2]·0.5CH2Cl2 (1), [(2(3H)-benzothiazolethione)Br2] (2), and [(2-benzimidazolethione)Br]·[Br3] (3), were synthesized and studied structurally by using X-ray crystallography and computationally by using charge density analysis based on QTAIM calculations. Analysis of the interaction strength indicated a formation of surprisingly strong S···Br halogen bonds in 1 (−104 kJ mol–1, and RBrS = 0.64) and 2 (−116 kJ mol–1, and RBrS = 0.63) with a substantial covalent contribution. …

thionessynthesis010405 organic chemistryChemistryLigandStereochemistryCharge densityElectron donorGeneral ChemistryInteraction energy010402 general chemistryCondensed Matter Physics01 natural sciencesHeterolysis0104 chemical sciences3. Good healthCrystallographychemistry.chemical_compoundhalogen bondingCovalent bondHalogenMoleculeGeneral Materials Scienceta116bromideCrystal Growth & Design
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Acid-Promoted Rearrangement of the Metalated Thienyl Rings in Dirhodium(II) Complexes with Thienyl Phosphines as Ligands

2006

Several mono- and bis-cyclometalated compounds have been prepared and characterized from the thermal reaction of dirhodium(II) tetraacetate and tris(2-thienyl)phosphine, P(2-C4H3S)3 (1), in toluene/acetic acid mixtures. In refluxing acetic acid, the mono-cyclometalated compound Rh2(O2CCH3)3[(2-C4H2S)P(2-C4H3S)2] (CH3CO2H)2 (2A) isomerizes to Rh2(O2CCH3)3[(3-C4H2S)P(2-C4H3S)2](CH3CO2H)2 (2B), which results from the selective rearrangement of the metalated ring from a 2-thienyl to a 3-thienyl structure. In the same conditions, the bis-cyclometalated compounds of formula Rh2(O2CCH3)2[(2-C4H2S)P(2-C4H3S)2]2(CH3CO2H)2 and with head-to-tail (3AA) or head-to-head (4AA) configuration of the phosphi…

Inorganic ChemistryTrischemistry.chemical_compoundAcetic acidStereochemistryChemistryOrganic ChemistryThermal reactionPhysical and Theoretical ChemistryRing (chemistry)Medicinal chemistryToluenePhosphineOrganometallics
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Inter- and intramolecular non-covalent interactions in 1-methylimidazole-2-carbaldehyde complexes of copper, silver, and gold

2014

Abstract Three new imidazole compounds, [CuBr2(mimc)2] (1), [Ag(mimc)2][CF3SO3] (2), and [AuCl3(mimc)] (3) (mimc = 1-methylimidazole-2-carbaldehyde), have been synthesized, structurally characterized, and further analyzed using the QTAIM analysis. The compounds exhibit self-assembled 3D networks arising from intermolecular non-covalent interactions such as metallophilic interactions, metal-π contacts, halogens–halogen interactions, and hydrogen bonds. These weak interactions have a strong impact on the coordination sphere of the metal atoms and on the packing of compounds 1, 2, and 3.

chemistry.chemical_classificationCoordination sphereHydrogen bondStereochemistryIntermolecular forceGeneral ChemistryCondensed Matter Physicschemistry.chemical_compoundchemistryIntramolecular forcePolymer chemistryImidazoleNon-covalent interactionsGeneral Materials ScienceSelf-assemblyta1161-MethylimidazoleSolid State Sciences
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Controlling the crystal growth of potassium iodide with a 1,1'-bis(pyridin-4-ylmethyl)-2,2'-biimidazole ligand (L) – formation of a linear [K4I4L4]n …

2018

The crystal growth of potassium iodide was controlled by using the neutral organic 1,1′-bis(pyridin-4-ylmethyl)-2,2′-biimidazole (L) ligand as a modifier. The selected modifier allows the preservation of original cubic [K4I4] units and their arrangement into a linear ligand-supported 1D chain. The supported [K4I4] cubes are only slightly distorted compared to the cubes found in pure KI salt. The N–K binding of the ligand to the KI salt, as well as weak I⋯H, N⋯H, and N⋯I interactions, stabilizes the structure to create a unique 1D polymer of neutral potassium iodide ionic salt inside the [K4I4L4]n complex.

saltsIonic bondingSalt (chemistry)chemistry.chemical_elementsuolat (yhdisteet)Crystal growth02 engineering and technology010402 general chemistryIodine01 natural sciencescrystalsGeneral Materials Sciencepolymeeritta116polymerschemistry.chemical_classificationLigandGeneral ChemistryPolymer021001 nanoscience & nanotechnologyCondensed Matter Physicskiteet0104 chemical sciencesCrystallographychemistry0210 nano-technologyCrystEngComm
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Solvent directs the dimensionality of Cu-dicyanoimidazoles

2022

In this paper, we report one-pot reactions of the same reactants 4,5-dicyanoimidazole and CuI in different solvents. In pure MeCN, the reaction resulted in previously reported MOF structure [Cu(4,5-dicyanoimidazole)]n.(MeCN)0.5n (1). On the other hand, when MeCN/MeOH solvent mixture was used, a new coordination polymer [Cu(4,5-dicyanoimidazole)(MeCN)(CuI)]n (2) was formed. The crystallization yielded very different structures as determined by X-ray crystallography. In 1, the solvent molecule acetonitrile occupies the MOF pores via weak interactions, but in 2 it is coordinated to the metal center. Computational DFT calculations and topological charge density analysis were utilized to explore…

Copper complextiheysfunktionaaliteoriakupariGeneral ChemistrykompleksiyhdisteetSolvent effectCondensed Matter PhysicsDFTQTAIMCyanoGeneral Materials ScienceImidazolekristallisaatioliuottimet
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Dirhodium(II) compounds with bridging thienylphosphines: studies on reversible P,C/P,S coordination.

2009

Monocyclometalated compound [Rh(2){(C(8)H(4)S)P(C(8)H(5)S)(2)}(CH(3)CO(2)H)(2)(O(2)CCH(3))(3)] (1 a) and bis-cyclometalated compound [Rh(2){(C(8)H(4)S)P(C(8)H(5)S)(2)}(2)(CH(3)CO(2)H)(2)(O(2)CCH(3))(2)] (2 a) have been isolated from the reaction of dirhodium tetraacetate and tris(2-benzo[b]thienyl)phosphine (2 BTP) using low acidic solutions. By contrast, in pure acetic acid the reaction of Rh(2)(O(2)CCH(3))(4) with 2 BTP and tris(2-thienyl)phosphine (2 TP), followed by replacement of the axial acetate ligands by chlorides, led to [Rh(2){(2-C(8)H(5)S)P(2-C(8)H(5)S)(2)}(2)Cl(2)(O(2)CCH(3))(2)] (3 b) and [Rh(2){(2-C(4)H(3)S)P(C(4)H(3)S)(2)}(2)Cl(2)(O(2)CCH(3))(2)] (5 b), respectively. These n…

TrisStereochemistryMetalationOrganic Chemistrychemistry.chemical_elementGeneral ChemistryCatalysisRhodiumAcetic acidchemistry.chemical_compoundchemistryTriflic acidIsomerizationSodium acetatePhosphineChemistry (Weinheim an der Bergstrasse, Germany)
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Role of C–H···Au and Aurophilic Supramolecular Interactions in Gold–Thione Complexes

2014

The role of noncovalent gold–hydrogen and aurophilic interactions in the formation of extended molecular systems of gold complexes was studied. Three new gold compounds with a heterocyclic thione ligand N-methylbenzothiazole-2-thione (mbtt), namely, [AuCl(mbtt)] (1), [AuBr(mbtt)] (2), and [Au(mbtt)2][AuI2]1–n[I3]n (3), were synthesized and characterized. The halide ligand had a considerable effect on the complex structures and thus to noncovalent contacts. Intermolecular C–H···Au and aurophilic Au···Au contacts were the dominant noncovalent interactions in structures 1–3 determining the supramolecular arrays of the gold complexes. In 1 and 2, unusual intermolecular C–H···Au gold–hydrogen co…

chemistry.chemical_classificationLigandStereochemistryHydrogen bondIntermolecular forceSupramolecular chemistryGeneral ChemistryMolecular systemsCondensed Matter PhysicsCrystallographychemistryGold CompoundsNon-covalent interactionsMoleculeGeneral Materials Scienceta116Crystal Growth & Design
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Persistence of oxidation state III of gold in thione coordination

2017

Ligands N,N'-tetramethylthiourea and 2-mercapto-1-methyl-imidazole form stable Au(III) complexes [AuCl3(N,N'-tetramethylthiourea)] (1) and [AuCl3(2-mercapto-1-methyl-imidazole)] (2) instead of reducing the Au(III) metal center into Au(I), which would be typical for the attachment of sulfur donors. Compounds 1 and 2 were characterized by spectroscopic methods and by X-ray crystallography. The spectroscopic details were explained by simulation of the UV-Vis spectra via the TD-DFT method. Additionally, computational DFT studies were performed in order to find the reason for the unusual oxidation state in the crystalline materials. The preference for Au(III) can be explained via various weak in…

gold(III)Crystalline materialsSolid-statechemistry.chemical_element010402 general chemistry01 natural sciencesDFTSpectral lineMetalOxidation stateComputational chemistryGeneral Materials Scienceta116Topological quantum number010405 organic chemistryChemistryIntermolecular forceGeneral ChemistryCondensed Matter PhysicsSulfurthione0104 chemical sciencesCrystallographyQTAIMvisual_artvisual_art.visual_art_mediumtetramethylthiourea
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Potential anticancer heterometallic Fe-Au and Fe-Pd agents: Initial mechanistic insights

2013

A series of gold(III) and palladium(II) heterometallic complexes with new iminophosphorane ligands derived from ferrocenylphosphanes [{Cp-P(Ph2)═N-Ph}2Fe] (1), [{Cp-P(Ph2)═N-CH2-2-NC5H4}2Fe] (2), and [{Cp-P(Ph2)═N-CH2-2-NC5H4}Fe(Cp)] (3) have been synthesized and structurally characterized. Ligands 2 and 3 afford stable coordination complexes [AuCl2(3)]ClO4, [{AuCl2}2(2)](ClO4)2, [PdCl2(3)], and [{PdCl2}2(2)]. The complexes have been evaluated for their antiproliferative properties in human ovarian cancer cells sensitive and resistant to cisplatin (A2780S/R), in human breast cancer cells (MCF7) and in a nontumorigenic human embryonic kidney cell line (HEK-293T). The highly cytotoxic trimeta…

STRUCTURAL-CHARACTERIZATIONARENE-RUTHENIUM COMPLEXESStereochemistryANTITUMOR-ACTIVITYchemistry.chemical_elementGOLD COMPOUNDSAntineoplastic AgentsCYTOTOXIC ACTIVITYArticleCoordination ComplexesCell Line TumorDrug DiscoveryOrganometallic CompoundsmedicineHumansCytotoxic T cellFerrous CompoundsBIOLOGICAL-PROPERTIESGroup 2 organometallic chemistryCisplatinHEK 293 cellsIn vitroPLATINUM(II) COMPLEXESHEK293 CellschemistryCELL-DEATHCell cultureCancer cellMolecular MedicineMETAL-COMPLEXESCisplatinOrganogold CompoundsPalladiumX-RAY-STRUCTUREPalladiummedicine.drug
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Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis

2019

Reactions of 4,5-dicyano-1-methylimidazole with CuX2 (X = Cl, Br) in alcohol solvents (ethanol and methanol) resulted in the formation of Cu(II) carboximidate complexes [CuCl2(5- cyano-4-C(OEt)N-1-methylimidazole)(EtOH)] (1), [Cu2(&micro

Steric effectsDenticitychemistry.chemical_elementInfrared spectroscopy010402 general chemistry01 natural sciencesMedicinal chemistryDFTimidazoleInorganic Chemistrychemistry.chemical_compoundQTAIM (Quantum Theory of Atoms in Molecules)lcsh:Inorganic chemistryImidazolecyanostructural analysiscopper complex010405 organic chemistryLigandalcoholysisepäorgaaninen kemiaCopperlcsh:QD146-1970104 chemical sciencesCarboximidatechemistryAlkoxy groupInorganics
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Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole

2012

New dinuclear palladium(III) compounds of general formula Pd2[(C6H4)PPh2]2[O–O]2Cl2, O–O being chelating phenolates C6H4OC(O)R (R = CH3, 3a; R = C2H5, 3b; R = OPh, 3c) or acetylacetonates RC(O)CHC(O)R (R = CH3, 4a; R = CF3, 4b; R = C(CH3)3, 4c), have been obtained by oxidation with PhICl2 of the corresponding palladium(II) compounds. The stability of the new compounds has been studied by 31P NMR spectroscopy from 200 to 298 K. DFT calculations of the stability of the complexes have also been performed. In agreement with these calculations, only compound Pd2[(C6H4)PPh2]2[(CF3C(O)CHC(O)CF3]2Cl2, 6b, showed the highest thermal stability. 6b was characterized by X-ray diffraction methods, prese…

Chelating ligandsStereochemistryOrganic Chemistrychemistry.chemical_elementMedicinal chemistryCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryThermal stabilityChelation1-Methylindole31p nmr spectroscopyPhysical and Theoretical ChemistryPalladiumOrganometallics
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Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds

2015

Four interhalogen complexes of heterocyclic thione ligands N-methylbenzothiazole-2-thione (mbtt) and 2(3)H-benzothiazole-thione (btt) with strong and tunable S⋯I halogen bonds were synthesized and characterized by X-ray single crystal diffraction. The study of the strength and nature of the interactions was supported by computational analysis using the Quantum Theory of Atoms in Molecules (QTAIM). Halogen bond and hydrogen bond directed self-assemblies of thione compounds were efficiently modified by the changes in the halogen bond donor and acceptor structures. In structures [(mbtt)ICl] (1) and [(mbtt)IBr] (2) the interplay of halogen bonds and hydrogen bonds between the thione hydrogens a…

Halogen bondsynthesisHydrogenHydrogen bondhalogen bondsInorganic chemistryAtoms in moleculesSupramolecular chemistrychemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsAcceptorinterhalogen complexesCrystallographychemistryhydrogen bondsHalogenGeneral Materials Scienceta116InterhalogenCrystEngComm
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Triazenides as Suitable Ligands in the Synthesis of Palladium Compounds in Three Different Oxidation States: I, II, and III

2014

New orthometalated dinuclear triazenide palladium(II) compounds of the general formula Pd2[(C6H4)PPh2]2[R–N–N–N–R]2 (R = C6H5, 3a; o-BrC6H4, o-3b; o-MeOC6H4, o-3c; o-MeC6H4, o-3d ; p-BrC6H4, p-3b; p-MeOC6H4, p-3c; p-MeC6H4, p-3d) have been synthesized and structurally characterized. The characteristics of these compounds were compared with the isoelectronic formamidinate derivatives. These triazenide compounds have been suitable starting products in the synthesis of new not so common dinuclear palladium(I) compounds and new unusual palladium(III) ones. In the presence of an excess of the triazenide ligand, compounds o-3b and o-3c underwent a reduction process giving dinuclear palladium(I) c…

Inorganic ChemistryChemistryStereochemistryLigandOrganic Chemistrychemistry.chemical_elementPhysical and Theoretical ChemistryMedicinal chemistryPalladiumOrganometallics
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Benzothiazolethione complexes of coinage metals: from mononuclear complexes to clusters and polymers

2019

Abstract The reactions of 2(3H)-benzothiazolethione (Hbtt) with [AuCl(tetrahydrothiophene)] and CuBr2 were studied, and found to yield a tetranuclear cluster compound [Au(btt)]4 [1] and a polymeric structure [CuBr(btt-btt)]n.nTHF (2). Crystallographic and spectroscopic methods were used for the characterization. In 1, the monoanionic ligand acted as a bidentate bridging N,S-donor giving a molecular cluster structure of an asymmetric coordination isomer. In the formation of 2, the ligand was dimerized by forming a S–S bond after deprotonation, and coordination via nitrogen donors to metal atoms took place leading to a polymeric structure. To clarify the diversity of reactions of Hbtt with co…

DenticityCoinage metalschemistry.chemical_element02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesCopper0104 chemical sciencesMetalCoordination isomerismCrystallographychemistry.chemical_compoundDeprotonationchemistryvisual_artvisual_art.visual_art_mediumCluster (physics)General Materials Science0210 nano-technologyTetrahydrothiopheneSolid State Sciences
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Self-assembly of square planar rhodium carbonyl complexes with 4,4-disubstituted-2,2′-bipyridine ligands

2020

The impact of non-covalent interactions and reaction conditions on formation and self-assembly of ionic pairs of Rh complexes with 4,4’-disubstituted bipyridine ligands ([Rh(L1)(CO)2][Rh(CO)2Cl2])n (1), [Rh(L1)2Cl2][Rh(CO)2Cl2] (2), ([Rh(L1)(CO)2][Rh(CO)2Cl2][Rh(L1)(CO)2]n([Rh(CO)2(Cl)2])n) (3), ([Rh(L2)CO2] [Rh(CO)2Cl2])n∙EtOH (4), ([Rh(L2)(CO)2])n ([Rh(CO)2Cl2])n (5) (L1 = 4,4’-dimethyl-2,2’-bipyridine, L2 = 4,4’-diamine-2,2’-bipyridine) have been studied. Packing of square planar Rh complexes favor formation of one-dimensional chains. In structure 1, the polymeric chain is formed by the alternating cationic [Rh(L1)(CO)2]+ and the anionic [Rh(CO)2Cl2]- units leading to a neutral pseudo li…

reductive carbonylationchemistry.chemical_elementIonic bonding02 engineering and technology010402 general chemistry01 natural sciences22'-BipyridineRhodiumchemistry.chemical_compoundBipyridineGeneral Materials Sciencemetallophilicitychemistry.chemical_classificationLigandHydrogen bondCationic polymerizationcarbonylGeneral Chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesCrystallographybipyridinechemistryrhodiumCounterion0210 nano-technologySolid State Sciences
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Further orthometalated dinuclear palladium(iii) compounds with bridging N,S-donor ligands

2013

New dinuclear palladium(III) compounds of general formula Pd2[(C6H4)PPh2]2[N-S]2Cl2, N-S being 2-mercaptopyridinate, 3a; 2-mercapto-6-methylpyridinate, 3b; 2-quinolinethiolate, 3c; 2-mercaptopyrimidinate, 3d; 1-methyl-1H-imidazole-2-thiolate, 3e; 1-methyl-1H-benzimidazole-2-thiolate, 3f; 2-mercaptobenzothiazolate, 3g and 5-mercapto-1-methyltetrazolate, 3h have been obtained by oxidation with PhICl2 of the corresponding palladium(II) counterparts. The stability of the new compounds has been studied by (31)P NMR spectroscopy from 200 to 298 K. Compounds 3f-h were relatively stable until room temperature and they have been synthesized and characterized by (31)P, (1)H and (13)C NMR spectroscopy…

Inorganic ChemistryCrystallography13c nmr spectroscopychemistryAtomic orbitalInorganic chemistryDensity analysischemistry.chemical_element31p nmr spectroscopySulfurPalladiumDalton Trans.
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Synthesis of Dirhodium(II) Complexes with Several Cyclometalated Thienylphosphines

2006

The thermal reaction of dirhodium tetraacetate with tris(3-thienyl)phosphine (3TP), diphenyl(3-thienyl)phosphine (3TPPh2), and diphenyl(2-thienyl)phosphine (2TPPh2) gives rise to mono-cyclometalated and bis-cyclometalated compounds; the latter can have a head-to-head (H−H) or head-to-tail (H−T) configuration. Bis-cyclometalated compounds with H−T configuration can be prepared in high yield under photochemical conditions or by combining irradiation with subsequent thermal treatment in acetic acid. The reactivity order of aromatic ring C−H activation is phenyl < 2-thienyl ≪ 3-thienyl, which leads to a selective activation of the thienyl ring. Thus, only one mono-cyclometalated compound is obt…

TrisOrganic ChemistryThermal treatmentRing (chemistry)PhotochemistryMedicinal chemistryInorganic Chemistrychemistry.chemical_compoundAcetic acidchemistryYield (chemistry)Reactivity (chemistry)IrradiationPhysical and Theoretical ChemistryPhosphineOrganometallics
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The geometry of the silver 1,1′-dibenzyl-2,2′-biimidazole complexes

2013

Abstract The argentophilic interactions and interactions of weakly coordinated nitrate and water with silver metal were studied by investigating the reaction of 1,1′-dibenzyl-2,2′-biimidazole (Bn2bim) with silver nitrate. Three new silver complexes [Ag4(Bn2bim)4(NO3)2]·4(CH3CH2OH)·2(NO3)·0.5(H2O) (1), [Ag4(Bn2bim)4(H2O)4]·4(NO3) (2) and [Ag4(Bn2bim)4(NO3)4]·6(CH2Cl2)·2(H2O) (3) were synthesized and characterized. Complexes 1-3 have rare tetranuclear twisted closed cyclic structure with four bridging biimidazoles and variable nitrate/water ratio. The interactions between the nitrate ligand and Ag as well as water ligands and Ag are considered to be weak due to the ease of exchanging them. Th…

chemistry.chemical_classificationHydrogen bondChemistryLigandInorganic chemistrylaw.inventionInorganic ChemistryMetalCrystallographychemistry.chemical_compoundSilver nitratelawvisual_artMaterials Chemistryvisual_art.visual_art_mediumMoleculeNon-covalent interactionsPhysical and Theoretical ChemistryCrystallizationta116DichloromethanePolyhedron
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Halogen bonds with coordinative nature: halogen bonding in a S–I+–S iodonium complex†

2015

A detailed study of unexpectedly strong iodonium–sulfur halogen bonds in [I(2-imidazolidinethione)2]+ is presented. The interactions are characterized by single-crystal X-ray diffraction, charge density analysis based on QTAIM calculations, mass spectrometry, and NMR spectroscopy. The results, small RIS = 0.7 and high interaction energy of −60 kJ mol−1, support a coordinative nature of the halogen bond between the iodonium ion and the sp2 hybridized sulfur atoms.

Halogen bondChemistryInorganic chemistryhalogen bondschemistry.chemical_elementCharge densityGeneral ChemistryNuclear magnetic resonance spectroscopyInteraction energyCondensed Matter PhysicsMass spectrometrySulfurIonCrystallographyHalogenGeneral Materials Scienceta116CrystEngComm
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Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom

2017

Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2’-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]⋅I2 with only one NCS⋅⋅⋅I2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCS⋅⋅⋅I2 and SCN⋅⋅⋅I2 bonding modes. The reason for the observed NCS⋅⋅⋅I2 mode lies most probably in the more favourable packing effects rather than energetic preferences between …

chemistry.chemical_element010402 general chemistryPhotochemistry01 natural sciencesjodiMetalchemistry.chemical_compoundAtomhalogensGeneral Materials Scienceta116DichloromethanethiocyanateHalogen bondhalogeenitThiocyanateiodine010405 organic chemistryLigandRuGeneral ChemistryCondensed Matter PhysicsSulfurNitrogen3. Good health0104 chemical sciencesCrystallographychemistryvisual_arthalogeenisidoksetvisual_art.visual_art_mediumhalogen bondIodineSolid State Sciences
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Fine-tuning halogen bonding properties of diiodine through halogen–halogen charge transfer – extended [Ru(2,2′-bipyridine)(CO)2X2]·I2 systems (X = Cl…

2016

The current paper introduces the use of carbonyl containing ruthenium complexes, [Ru(bpy)(CO)2X2] (X = Cl, Br, I), as halogen bond acceptors for a I2 halogen bond donor. In all structures, the metal coordinated halogenido ligand acts as the actual halogen bond acceptor. Diiodine, I2, molecules are connected to the metal complexes through both ends of the molecule forming bridges between the complexes. Due to the charge transfer from Ru–X to I2, formation of the first Ru–X⋯I2 contact tends to generate a negative charge on I2 and redistribute the electron density anisotropically. If the initial Ru–X⋯IA–IB interaction causes a notable change in the electron density of I2, the increased negativ…

Halogen bond010405 organic chemistryChemistryLigandchemistry.chemical_elementCharge densityGeneral Chemistry010402 general chemistryCondensed Matter PhysicsPhotochemistry01 natural sciencesAcceptor22'-Bipyridine0104 chemical sciencesRutheniumCrystallographychemistry.chemical_compoundhalogen bondingHalogenruthenium complexesMoleculeGeneral Materials Scienceta116CrystEngComm
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Metallophilic interactions in stacked dinuclear rhodium 2,2'-biimidazole carbonyl complexes

2012

Non-covalent metallophilic interactions were studied by investigating the stacking of two neutral rhodium complexes [Rh2I(R2bim)Cl2(CO)4] (R = Et, ethyl or Pr, propyl) in the solid state. Both dinuclear complexes formed infinite arrays of square planar d8 rhodium centres with intramolecular Rh⋯Rh distances of 3.1781(5) A (R = Et) and 3.1469(3) A (R = Pr) and the intermolecular Rh⋯Rh distances of 3.4345(6) A (R = Et) and 3.4403(3) A (R = Pr) between the adjacent molecules. The crystalline solids were stable and did not contain any solvent of crystallization. The effect of the metallophilic interactions on the absorption properties were studied using TD-DFT methods. The computational results …

ChemistryStackingchemistry.chemical_elementGeneral ChemistryCondensed Matter PhysicsRhodiumlaw.inventionMetalCrystalCrystallographylawIntramolecular forcevisual_artBathochromic shiftvisual_art.visual_art_mediumMoleculeGeneral Materials ScienceCrystallizationta116CrystEngComm
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Stability of Dinuclear Phosphane Palladium(III) Complexes: A DFT Approach

2018

Computational density functional theory studies have been carried out for the dinuclear ortho-metalated palladium(III) compounds [Pd2{μ-(C6H4)PPh2}2{μ-(X1-X2)}2Cl2]. These studies have shown that the electronic and steric properties of the auxiliary ligands (X1-X2 = bridging (carboxylato) or chelating (phenolato/acetylacetonato) O,O-donor ligands, bridging N,N-donor ligands (triazenido/formamidinato/pyrazolato), and bridging N,S-donor ligands) lead to systematic trends in their stability, highlighting that (a) the electronic nature of the donor atoms trans to the P has a clear trend, the replacement of hard donor atoms (O, N) by softer S donors generally reducing the stability of the compou…

Steric effects010405 organic chemistryOrganic Chemistrychemistry.chemical_element010402 general chemistry01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographychemistryIntramolecular forceDensity functional theoryChelationPhysical and Theoretical ChemistryPalladiumOrganometallics
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Determination of equilibrium constants and computational interaction energies for adducts of [Rh2(RCO2)(4-n)(PC)n] (n = 0-2) with Lewis bases.

2007

Properties of dirhodium catalysts with cyclometalated aryl phosphine ligands have been studied. We report here the study of the acid−base reaction of Rh2(RCO2)2(PC)2(H2O)2 catalysts (PC = cyclometalated aryl phosphine) with different Lewis bases. The determination of the equilibrium constants of these reactions can be used to study to which extent the properties of the axial coordination site of the catalyst, considered the active site, are affected by modification of the metalated phosphines, the carboxylate ligands, or the incoming axial ligand. The trends in the computational density functional theory interaction energies show good agreement with the major trends in the equilibrium const…

StereochemistryLigandArylAdductInorganic Chemistrychemistry.chemical_compoundchemistryComputational chemistryCarboxylateLewis acids and basesPhysical and Theoretical ChemistryDetermination of equilibrium constantsEquilibrium constantPhosphineInorganic chemistry
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Benzoato and Thiobenzoato Ligands in the Synthesis of Dinuclear Palladium(III) and ‐(II) Compounds: Stability and Catalytic Applications

2015

New palladium(III) compounds of formula Pd2[(C6H4)PPh2]2[OXC(C6H5)]2Cl2 [3a (X = O); 3b (X = S)] were obtained by the oxidation of the analogous palladium(II) ones with PhICl2 and were characterized by 31P, 1H, and 13C NMR spectroscopy at 223 K. Compound 3a was also structurally characterized by single-crystal X-ray diffraction methods, which revealed a Pd–Pd distance of 2.5212(10) A. DFT calculations were conducted to study the stability of all of these new palladium(III) and -(II) compounds with focus on the influence of the OS substitution of the donor atom in the ligand. The palladium(II) compounds Pd2[(C6H4)PPh2]2[OXC(C6H5)]2 [2a (X = O), 2b (X = S)] were also tested as precatalyst in …

Inorganic ChemistryIndole testLigandChemistryYield (chemistry)Substrate (chemistry)chemistry.chemical_elementOrganic chemistryHomogeneous catalysisElectrochemistryMedicinal chemistryCatalysisPalladiumEuropean Journal of Inorganic Chemistry
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Noncovalent axial I∙∙∙Pt∙∙∙I interactions in platinum(II) complexes strengthen in the excited state

2021

Abstract Coordination compounds of platinum(II) participate in various noncovalent axial interactions involving metal center. Weakly bound axial ligands can be electrophilic or nucleophilic; however, interactions with nucleophiles are compromised by electron density clashing. Consequently, simultaneous axial interaction of platinum(II) with two nucleophilic ligands is almost unprecedented. Herein, we report structural and computational study of a platinum(II) complex possessing such intramolecular noncovalent I⋅⋅⋅Pt⋅⋅⋅I interactions. Structural analysis indicates that the two iodine atoms approach the platinum(II) center in a “side‐on” fashion and act as nucleophilic ligands. According to c…

platinakemialliset yhdisteetchemistry.chemical_elementfysikaalinen kemiaCoordination complexMetaljodinoncovalent interactionsNucleophileaxial interactionsexcited stateNon-covalent interactionsplatinumPhysical and Theoretical Chemistryexcited stateschemistry.chemical_classificationiodineCommunicationliganditAtomic and Molecular Physics and OpticsCommunicationsCrystallographychemistryCovalent bondvisual_artExcited stateIntramolecular forcevisual_art.visual_art_mediumPlatinum
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Weak aurophilic interactions in a series of Au(III) double salts.

2015

In this work, several new examples of rare AuIII⋯AuIII aurophilic contacts are reported. A series of gold(III) double salts and complexes, viz. [AuX2(L)][AuX4] (L = 2,2′-bipyridyl, X = Cl 1, Br 2; L = 2,2′-bipyrimidine, X = Cl 3, Br 4; L = 2,2′-dipyridylamine, X = Cl 5, Br 6), [AuX3(biq)] (biq = 2,2′-biquinoline, X = Cl 7, Br 8), [LH][AuX4] (L = 2,2′-bipyridyl, X = Cl 9; L = 2,2′-bipyrimidine, X = Cl 12; L = 2,2′-dipyridylamine, X = Cl 14, Br 15; L = 2,2′-biquinoline, X = Cl 17, Br 18), [AuBr2(bpy)]2[AuBr4][AuBr2] 10, [AuCl2(bpm)][AuCl2] 11, (bpmH)2[AuBr4][AuBr2] 13, and (dpaH)[AuBr2] 16 (1, 2, and 7 were reported earlier) was synthesized by coordination of a particular ligand to the AuIII …

Series (mathematics)ChemistryLigandAtoms in moleculesstructural dataAurophilicityInorganic ChemistryMetalsymbols.namesakeCrystallographygold complexesComputational chemistryvisual_artDensity analysisvisual_art.visual_art_mediumsymbolsMoleculeVan der Waals radiusgold double saltsta116aurophilic interactionsDalton transactions (Cambridge, England : 2003)
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Concerted halogen and hydrogen bonding in [RuI2(H2dcbpy)(CO)2]···I2···(CH3OH)···I2···[RuI2(H2dcbpy)(CO)2].

2011

A new type of concerted halogen bond-hydrogen bond interaction was found in the solid state structure of [RuI(2)(H(2)dcbpy)(CO)(2)]···I(2)···(MeOH)···I(2)···[RuI(2)(H(2)dcbpy)(CO)(2)]. The iodine atoms of the two I(2) molecules interact simultaneously with each other and with the OH group of methanol of crystallization. The interaction was characterized by single crystal X-ray measurements and by computational charge density analysis based on DFT calculations.

Hydrogen bondMetals and AlloysCharge densityGeneral ChemistrySolid state structureCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic Materialslaw.inventionchemistry.chemical_compoundCrystallographychemistryComputational chemistrylawHalogenMaterials ChemistryCeramics and CompositesMoleculeMethanolCrystallizationSingle crystalta116Chemical communications (Cambridge, England)
researchProduct

Halogen bonding—a key step in charge recombination of the dye-sensitized solar cell

2011

The halogen bonding between [Ru(dcbpy)(2)(SCN)(2)] dye and I(2) molecule has been studied. The ruthenium complex forms a stable [Ru(dcbpy)(2)(SCN)(2)]···I(2)·4(CH(3)OH) adduct via S···I interaction between the thiocyanate ligand and the I(2) molecule. The adduct can be seen as a model for one of the key intermediates in the regeneration cycle of the oxidized dye by the I(-)/I(3)(-) electrolyte in dye sensitized solar cells.

Halogen bondThiocyanateLigandMetals and Alloyschemistry.chemical_elementGeneral ChemistryElectrolytePhotochemistryCatalysisSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsAdductRutheniumchemistry.chemical_compoundDye-sensitized solar cellchemistryMaterials ChemistryCeramics and CompositesMoleculeta116Chemical Communications
researchProduct

Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes.

2012

The metallophilic interactions were investigated within chains of oppositely charged rhodium carbonyl complexes. The cationic [Rh(CO)(2)(L)](+) (L = 2,2'-bipyridine and 1,10-phenanthroline) and anionic [RhCl(2)(CO)(2)](-) units were self-assembled into one dimensional rhodium chains supported by electrostatic interactions. The array of Rh centers in {[Rh(CO)(2)(2,2'-bpy)][RhCl(2)(CO)(2)]}(n) was found to be nearly linear with a Rh···Rh···Rh angle of 170.927(11)° and Rh···Rh distances of 3.3174(5) Å and 3.4116(5) Å. The crystal structure of {[Rh(CO)(2)(1,10-phen)][RhCl(2)(CO)(2)]} consisted of two sets of crystallographically independent chains with slightly different Rh···Rh···Rh angles (17…

Inorganic chemistryCationic polymerizationchemistry.chemical_elementLinearityCrystal structureElectrostaticsRhodiumIonInorganic ChemistryMetalCrystallographychemistryvisual_artvisual_art.visual_art_mediumAbsorption (chemistry)ta116Dalton transactions (Cambridge, England : 2003)
researchProduct

Pyrazole and Pyrazolate as Ligands in the Synthesis and Stabilization of New Palladium(II) and (III) Compounds.

2016

The versatility of pyrazole/pyrazolate as ligands has allowed the synthesis and the structural characterization of four different types of new orthometalated palladium compounds, for which DFT calculations have been performed in order to investigate their relative stabilities. [Pd2{μ-(C6H4)PPh2}2{μ-(R,R'2pz)}2] (R = R' = H, 2a; R = Br, R' = H, 2b; R = CH3, R' = H, 2c; R = H, R' = CH3, 2d; R = Br, R' = CH3, 2e) compounds with exo-bidentate pyrazolatos are the first paddlewheel dinuclear palladium(II) compounds with pyrazolato bridging ligands described and characterized in the literature. In the process of the synthesis of 2a, a new tetranuclear intermediate compound, [Pd4{μ-(C6H4)PPh2}4(μ-p…

Denticity010405 organic chemistryStereochemistrychemistry.chemical_elementOrder (ring theory)Pyrazole010402 general chemistry01 natural sciences0104 chemical sciencesInorganic Chemistrychemistry.chemical_compoundchemistryPhysical and Theoretical ChemistryPalladiumInorganic chemistry
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Dinuclear Ortho-Metalated Palladium(II) Compounds with N,N- and N,O-Donor Bridging Ligands. Synthesis of New Palladium(III) Complexes

2011

New dinuclear ortho-metalated palladium(II) compounds with N,N′-diarylformamidinates, Pd2[(C6H4)PPh2]2[R′NC(H)NR′]2 (R′ = C6H5, 3a; R′ = p-CH3C6H4, 3b; R′ = p-CH3OC6H4, 3c) and N,O-donor ligands, Pd2[(C6H4)PPh2]2[N,O]2 (N,O = succinimidate (5), phtalimidate (6), 2-hydroxypyridinate (7), acetanilidate (8)) have been synthesized and characterized by NMR spectroscopy and X-ray diffraction methods. The oxidation with iodobenzene dichloride gave new and rare Pd26+ compounds, Pd2[(C6H4)PPh2]2[R′NC(H)NR′]2Cl2 (R′ = C6H5, 4a; R′ = p-CH3C6H4, 4b). DFT calculations on the Pd24+ → Pd26+ oxidation reaction show that the substituents on the amidinate N atoms have a greater effect on the reaction energy …

StereochemistryOrganic ChemistryReaction energychemistry.chemical_elementNuclear magnetic resonance spectroscopyMedicinal chemistryRedoxCatalysisInorganic Chemistrychemistry.chemical_compoundchemistryIodobenzene dichlorideAtomPhysical and Theoretical ChemistryPalladiumOrganometallics
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Dihalogens as Halogen Bond Donors

2016

Materials scienceHalogen bondPolymer chemistry
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CCDC 1029115: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal Structure(22'-bipyrimidine)-dichloro-gold dichloro-goldCell ParametersExperimental 3D Coordinates
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CCDC 950098: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal Structuretrichloro-(1-methyl-1H-imidazole-2-carbaldehyde)-goldCell ParametersExperimental 3D Coordinates
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CCDC 1029120: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemN-(pyridin-2-yl)pyridin-2-aminium dibromo-gold(i)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1935019: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal Systemdichloro-bis(44'-dimethyl-22'-bipyridine)-rhodium dicarbonyl-(dichloro)-rhodiumCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1501673: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-4-bromopyrazolato)-bis(2-(diphenylphosphino)phenyl)-di-palladium(ii) dihydrateExperimental 3D Coordinates
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CCDC 1009210: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyridine)-dicarbonyl-bis(triiodane)-rutheniumExperimental 3D Coordinates
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CCDC 996516: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systembis(mu-13-bis(2-methylphenyl)triaz-1-en-3-yl)-bis(mu-2-(diphenylphosphanyl)phenyl)-di-palladiumCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1029124: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal System(22'-bipyrimidine)-dichloro-gold tetrachloro-goldCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1029116: Experimental Crystal Structure Determination

2015

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2-(pyrimidin-2-yl)pyrimidin-1-ium tetrachloro-gold(iii)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 944605: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu2-2-(diphenylphosphanyl)phenyl)-bis(111555-hexafluoroacetylacetonato)-dichloro-di-palladium(iii) dichloromethane solvateExperimental 3D Coordinates
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CCDC 930540: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinatesdichloro-(2-(((triphenylphosphoranylidene)amino)methyl)pyridine)-palladium(ii) chloroform solvate
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CCDC 944602: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu2-2-(diphenylphosphanyl)phenyl)-bis(acetylacetonato)-di-palladium(ii) n-hexane solvateExperimental 3D Coordinates
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CCDC 1921770: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographybis(mu-bromo)-dibromo-bis(ethyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1009213: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structure(22'-bipyridine)-dicarbonyl-dichloro-ruthenium dichloromethane solvateCell ParametersExperimental 3D Coordinates
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CCDC 1009209: Experimental Crystal Structure Determination

2016

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Space GroupCrystallography(22'-bipyridine)-dibromo-dicarbonyl-ruthenium iodine chloroform solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1009215: Experimental Crystal Structure Determination

2016

Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C

Space GroupCrystallography(22'-bipyridine)-dicarbonyl-diiodo-rutheniumCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1052931: Experimental Crystal Structure Determination

2016

Related Article: Francisco Estevan, Susana Ibáñez, Albert Ofori, Pipsa Hirva, Mercedes Sanaú and Ma Angeles Úbeda|2015|Eur.J.Inorg.Chem.||2822|doi:10.1002/ejic.201500324

Space GroupCrystallographyCrystal Systembis(mu2-Benzoato-OO')-bis(mu2-2-(diphenylphosphino)phenyl-CP)-di-palladium hydrateCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1501676: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-4-bromo-35-dimethylpyrazolato)-bis(2-(diphenylphosphino)phenyl)-di-palladium(ii)Experimental 3D Coordinates
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CCDC 1029121: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal System2-(quinolin-2-yl)quinolinium tetrachloro-gold(iii)Crystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 996514: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-13-diphenyltriaz-1-en-3-yl)-bis(mu-2-(diphenylphosphanyl)phenyl)-di-palladium dichloromethane solvateExperimental 3D Coordinates
researchProduct

CCDC 930539: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographydichloro-(2-(((diphenyl(ferrocenyl)phosphoranylidene)amino)methyl)pyridine)-palladium(ii) methanol solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1921768: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-chloro)-dichloro-bis(methyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Experimental 3D Coordinates
researchProduct

CCDC 941941: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographybis(mu2-2-(Diphenylphosphino)phenyl-CP)-bis(mu2-6-methylpyridine-2-thiolato)-di-palladium(ii) dichloromethane solvate trihydrateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1921769: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-bromo)-dibromo-bis(methyl 5-cyano-1-methyl-1H-imidazole-4-carboximidate)-di-copper(ii)Experimental 3D Coordinates
researchProduct

CCDC 1588805: Experimental Crystal Structure Determination

2018

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-[(mu-11'-bis[(pyridin-4-yl)methyl]-1H1'H-22'-biimidazole)-(mu-iodo)-potassium]Experimental 3D Coordinates
researchProduct

CCDC 1029126: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographydichloro-(N-(pyridin-2-yl)pyridin-2-amine)-gold tetrachloro-gold acetonitrile solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 950096: Experimental Crystal Structure Determination

2014

Related Article: Laura Koskinen, Sirpa Jaaskelainen, Pipsa Hirva, Matti Haukka|2014|Solid State Sciences|35|81|doi:10.1016/j.solidstatesciences.2014.06.012

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersdibromo-bis(1-methyl-1H-imidazole-2-carbaldehyde)-copper(ii)Experimental 3D Coordinates
researchProduct

CCDC 941943: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographybis(mu2-2-(Diphenylphosphino)phenyl-CP)-bis(mu2-pyrimidine-2-thiolato)-di-palladium(ii) dichloromethane solvateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1009214: Experimental Crystal Structure Determination

2016

Related Article: Xin Ding, Matti J. Tuikka, Pipsa Hirva, Vadim Yu. Kukushkin, Alexander S. Novikov, Matti Haukka|2016|CrystEngComm|18|1987|doi:10.1039/C5CE02396C

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates(22'-bipyridine)-dibromo-dicarbonyl-ruthenium
researchProduct

CCDC 1029123: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyrimidine)-dichloro-gold dichloro-(2-(pyrazin-2-yl)pyrimidine)-gold tetrachloro-goldExperimental 3D Coordinates
researchProduct

CCDC 1012801: Experimental Crystal Structure Determination

2015

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters2-(bromosulfanyl)-1H-31-benzimidazol-3-ium tribromideExperimental 3D Coordinates
researchProduct

CCDC 2115418: Experimental Crystal Structure Determination

2022

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catena-((mu-45-dicyanoimidazolato)-copper acetonitrile solvate)Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 996519: Experimental Crystal Structure Determination

2014

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Space GroupCrystallographyCrystal Systembis(mu-13-bis(4-methoxyphenyl)triaz-1-en-3-yl)-bis(mu-2-(diphenylphosphanyl)phenyl)-di-palladium dihydrateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1524888: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(22'-bipyridine)-(dicarbonyl)-bis(thiocyanato)-ruthenium iodineExperimental 3D Coordinates
researchProduct

CCDC 944603: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographybis(mu2-2-(diphenylphosphanyl)phenyl)-bis(111555-hexafluoroacetylacetonato)-di-palladium(ii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1900285: Experimental Crystal Structure Determination

2019

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterscatena-((mu-bromo)-(mu-22'-disulfanediylbis(13-benzothiazole))-copper tetrahydrofuran solvate)Experimental 3D Coordinates
researchProduct

CCDC 1499191: Experimental Crystal Structure Determination

2017

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Space GroupCrystallographytrichloro-(1-methyl-13-dihydro-2H-imidazole-2-thione)-gold(iii)Crystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1501675: Experimental Crystal Structure Determination

2016

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Space GroupCrystallographyCrystal SystemCrystal Structurebis(mu-35-dimethylpyrazolato)-bis(2-(diphenylphosphino)phenyl)-di-palladium(ii) dihydrateCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 941946: Experimental Crystal Structure Determination

2013

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Space GroupCrystallographyCrystal Systembis(mu~2~-2-(Diphenylphosphino)phenyl)-bis(mu~2~-1-methyl-1H-tetrazole-5-thiolato)-di-palladium dichloromethane solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1935022: Experimental Crystal Structure Determination

2020

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Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters([22'-bipyridine]-44'-diamine)-(dicarbonyl)-rhodium dicarbonyl-(dichloro)-rhodium ethanol solvateExperimental 3D Coordinates
researchProduct

CCDC 1029114: Experimental Crystal Structure Determination

2015

Related Article: Alexander N. Chernyshev, Maria V. Chernysheva, Pipsa Hirva, Vadim Yu. Kukushkin, Matti Haukka|2015|Dalton Trans.|44|14523|doi:10.1039/C4DT03167A

Space GroupCrystallographyCrystal SystemCrystal Structurebis((22'-bipyridine)-dibromo-gold) dibromo-gold tetrabromo-goldCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1501674: Experimental Crystal Structure Determination

2016

Related Article: Francisco Estevan, Pipsa Hirva, Mercedes Sanaú, MaAngeles Úbeda|2018|Organometallics|37|2980|doi:10.1021/acs.organomet.8b00342

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-4-methylpyrazolato)-bis(2-(diphenylphosphino)phenyl)-di-palladium(ii) dichloromethane solvateExperimental 3D Coordinates
researchProduct

CCDC 1823385: Experimental Crystal Structure Determination

2018

Related Article: Francisco Estevan, Pipsa Hirva, Mercedes Sanaú, MaAngeles Úbeda|2018|Organometallics|37|2980|doi:10.1021/acs.organomet.8b00342

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis(mu-2-(diphenylphosphino)phenyl)-bis(mu-pyrazolato)-dichloro-di-palladium(iii) tetrahydrateExperimental 3D Coordinates
researchProduct

CCDC 950097: Experimental Crystal Structure Determination

2014

Related Article: Laura Koskinen, Sirpa Jaaskelainen, Pipsa Hirva, Matti Haukka|2014|Solid State Sciences|35|81|doi:10.1016/j.solidstatesciences.2014.06.012

Space GroupCrystallographyCrystal SystemCrystal Structuretetrakis(1-methyl-1H-imidazole-2-carbaldehyde)-di-silver bis(trifluoromethanesulfonate)Cell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1009208: Experimental Crystal Structure Determination

2016

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