Search results for "octahedral distortion"

showing 7 items of 7 documents

Primary- and secondary-octahedral distortion factors in bis(1,4-H2-1,2,4-triazolium) pentabromidoantimonate(III) –1,4-H2-1,2,4-triazolium bromide

2015

Abstract The analysis of octahedral distortion in the structure of inorganic–organic (C2H4N3)2[SbBr5]·(C2H4N3)Br (BTPTB) bromidoantimonate(III) determined at 295 and 85 K, supported by the Hirshfeld surface analysis and the data retrieved from the Cambridge Structural Database, is presented. The anionic substructure of BTPTB is built from distorted [SbBr6]3− octahedra that are connected by the cis corners forming polymeric one-dimensional [{SbBr5}n]2n− zig-zag chains running parallel to the a axis and isolated Br− ions. The organic substructure consists of the fully ordered 1,4-H2-1,2,4-triazolium cations. The oppositely charged substructures are linked by the system of N(C)–H⋯Br hydrogen b…

ChemistryHydrogen bondIonHybrid materials; Octahedral distortion; Hirshfeld surface analysis; Distortion parameters; Hydrogen bondingInorganic Chemistrychemistry.chemical_compoundCrystallographyOctahedronBromideDistortionOctahedral molecular geometryMaterials ChemistrySubstructurePhysical and Theoretical ChemistryHybrid materialPolyhedron
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Formation and distortion of iodidoantimonates(III): the first isolated [SbI6]3- octahedron

2017

The ability to intentionally construct, through different types of interactions, inorganic–organic hybrid materials with desired properties is the main goal of inorganic crystal engineering. The primary deformation, related to intrinsic interactions within inorganic substructure, and the secondary deformation, mainly caused by the hydrogen bond interactions, are both responsible for polyhedral distortions of halogenidoantimonates(III) with organic cations. The evolution of structural parameters, in particular the Sb—I secondary- and O/N/C—H...I hydrogen bonds, as a function of temperature assists in understanding the contribution of those two distortion factors to the irregularity of [SbI6]…

Coordination sphereTetrahydrate010405 organic chemistryChemistryHydrogen bondMetals and Alloys010402 general chemistryCrystal engineeringisolated [SbI6]3− octahedron01 natural sciencesAtomic and Molecular Physics and Optics0104 chemical sciencesElectronic Optical and Magnetic Materialschemistry.chemical_compoundCrystallographyOctahedronDistortionpiperazine-1Materials ChemistryMoleculeWater of crystallization4-diium cationoctahedral distortion;hydrogen and halogen bondingiodidoantimonates(III)Acta Crystallographica Section B-Structural Science
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Isostructural Inorganic–Organic Piperazine-1,4-diium Chlorido- and Bromidoantimonate(III) Monohydrates: Octahedral Distortions and Hydrogen Bonds

2020

Halogenidoantimonate(III) monohydrates of the (C4H12N2)[SbX5]&middot

Models Molecularcrystal structureMaterials scienceHydrogenSurface PropertiesMolecular ConformationPharmaceutical Sciencechemistry.chemical_elementCrystal structurelow temperatureArticleAnalytical Chemistrylcsh:QD241-441lcsh:Organic chemistryDrug DiscoveryMoleculeHirshfeld surface analysisPhysical and Theoretical ChemistryIsostructuralOrganic Chemicalsoctahedral distortionPiperazineHydrogen bondOrganic Chemistryhydrogen bondinginorganic–organic hybrid materialsCrystallographyOctahedronchemistryChemistry (miscellaneous)Inorganic ChemicalsMolecular MedicineWater of crystallizationhalogenidoantimonates(III)Monoclinic crystal systemMolecules
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Distortions of [Sb2Cl10]4– Bioctahedra and Phase Transitions in the Chloroantimonate(III) (C3H5NH3)2[SbCl5]·(C3H5NH3)Cl

2007

Bis(allylammonium)pentachloroantimonate(III) - allylammonium chloride, (C3H5NH3)2[SbCl5] · (C3H5NH3)Cl, belongs to the chloroantimonate(III) organic-inorganic salts family. The DSC studies of this compound showed two anomalies at 181 K and at 223 K. Both are associated with phase transitions, which mainly occur due to ordering-disordering processes of the organic cations. Between 181 and 223 K the structure is incommensurate. The crystal structure was determined at 298 and 86 K. At both temperatures the crystal structure consists of (C3H5NH3)+ cations, anionic distorted [Sb2Cl10]4− units and isolated Cl− ions. In the room-temperature phase two out of three, and in the low-temperature phase …

Phase transitionCrystallographycrystal structurechloroantimonates(III)octahedral distortionsHydrogen bondChemistryGeneral ChemistryCrystal structurehydrogen bondingphase transitionsZeitschrift Fur Naturforschung Section B = A Journal of Chemical Sciences
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Understanding distortions of inorganic substructures in chloridobismuthates(III)

2021

The molar ratio variations of organic and inorganic reactants of chloridobismuthates(III) with N,N-dimethylethane-1,2-diammonium, [(CH3)2NH(CH2)2NH3]2+, and N,N,N′,N′-tetramethylguanidinium, [NH2C{N(CH3)2}2]+, cations lead to the formation of four different products, namely, tris(N,N-dimethylethane-1,2-diammonium) bis[hexachloridobismuthate(III)], [(CH3)2NH(CH2)2NH3]3[BiCl6]2 (1), catena-poly[N,N-dimethylethane-1,2-diammonium [[tetrachloridobismuthate(III)]-μ-chlorido]], {[(CH3)2NH(CH2)2NH3][BiCl5]} n (2), tris(N,N,N′,N′-tetramethylguanidinium) tri-μ-chlorido-bis[trichloridobismuthate(III)], [NH2C{N(CH3)2}2]3[Bi2Cl9] (3), and catena-poly[N,N,N′,N′-tetramethylguanidinium [[dichloridobismutha…

biologyChemistryHydrogen bondinorganic–organic hybridchloridobismuthate(III)Metals and Alloyshydrogen bondingbiology.organism_classificationAtomic and Molecular Physics and OpticsElectronic Optical and Magnetic MaterialsCrystallographyOctahedronMolar ratioMaterials ChemistryTetraoctahedral distortionActa Crystallographica Section B Structural Science, Crystal Engineering and Materials
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Phase transitions and distortion of [BiCl6]3– octahedra in (C3H5NH3)3[BiCl6] – DSC and single-crystal X-Ray diffraction studies

2004

The DSC diagram of tris(allylammonium) hexachlorobismuthate(III), (C3H5NH3)3[BiCl6], revealed three anomalies at 152, 191 and 299 K. The structure of the salt was determined at 200 and 315 K, below and above the high-temperature phase transition at 299 K. In both phases the crystals are monoclinic. At 200 K the space group is C2/c whereas at 315 K it is C2/m. The structures, at both temperatures, are composed of [BiCl6]3− octahedra and allylammonium cations. The organic and inorganic moieties are attracted to each other by a network of the N-H. . .Cl hydrogen bonds. The relationship between corresponding parameters of the unit cells has been found. The phase transition at 299 K, of the orde…

chlorobismuthates(III)phase transitionallylammonium cationdisorderoctahedral distortionZeitschrift Fur Naturforschung Section B = A Journal of Chemical Sciences
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Preparation, crystal structure at 298 and 90 K and phase transition in (C2H5NH3) 2[SbBr5] studied by the single crystal X-Ray diffraction method

2004

The reaction of antimony(III) oxide with ethylamine, in molar ratios from 1:1 to 1:10, in concentrated hydrobromic acid leads to the formation of one product – bis(ethylammonium) pentabromoantimonate(III). The structure of (C2H5NH3)2[SbBr5] was determined at 298 and 90 K, below and above the phase transition that occurs at about 158.5 K. The orthorhombic system was found in both phases, space groups Cmca and Pbca at 298 and 90 K, respectively. At both temperatures the structure consists of [SbBr6] 3− octahedra connected via cis bromine atoms forming one-dimensional zig-zag [{SbBr5}2−]n chains. The ethylammonium cations fill the space between polyanionic chains. The organic and inorganic sub…

phase transitionbromoantimonates(III)octahedral distortionethylammonium cationZeitschrift Fur Naturforschung Section B = A Journal of Chemical Sciences
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