Search results for "structural"
showing 10 items of 5047 documents
The crystal and molecular structures of hexaquocobalt(II) diisonicotinate N-oxide and its isostructural nickel(II) homologue
1981
Abstract In this experiment the crystal and molecular structures of hexaaquocobalt(II)diisonicotinate N-oxide were determined from three-dimensional X-ray diffraction dat. The crystals belong to the monoclinic space group P2 1 /c. The cell parameters are a = 7.74(2), b = 9.826(2), c = 11.474(2) A , β = 91.08(2)°, V = 873.2(3) A 3 for the Co-complex, and a = 7.765(2), b = 9.725(6), c = 11.363 A , β = 91.20(3)°, V = 857.9(7) A 3 for the Ni-complex. Both structures were refined to a final R-value of 0.045. The X-ray structure analysis showed that there are metal(II)hexaquo cations and isonicotinate N-oxide anions formulated as Co(H 2 O) 6 2+ 2L − and Ni(H 2− O) 6 2+ 2L − in the structures. The…
Layered Molecule-Based Magnets Formed by Decamethylmetallocenium Cations and Two-Dimensional Bimetallic Complexes [MIIRuIII(ox)3]−(MII=;Mn, Fe, Co, C…
2001
Abstract A new series of hybrid organometallic-inorganic layered magnets with formula [Z III Cp * 2 ] [M II Ru III (ox) 3 ] ( Z III =Co and Fe; M II =Mn, Fe, Co, Cu, and Zn; ox=oxalate: Cp * =pentamethylcyclopentadienyl) has been prepared. All of these compounds are isostructural to the previously reported [ Z III Cp * 2 ] [ M II M III (ox) 3 ] ( M III =Cr, Fe) series and crystallize in the monoclinic space group C 2/ m , as found by powder X-ray diffraction analysis. They are novel examples of magnetic materials formed by bimetallic oxalate-based extended layers separated by layers of organometallic cations. The magnetic properties of all these compounds have been investigated (ac and dc m…
Synthesis, structure and conductivity of Ag2ZnSiO4, Ag2ZnGeO4 and Ag2BeSiO4
1995
Abstract The compounds Ag2MM′O4 with MM′ = ZnSi, ZnGe and BeSi have been synthesised by reacting the corresponding Na compounds with molten AgNO3. The crystal structures of Ag2ZnSiO4 and Ag2ZnGeO4 have been refined from Cu K α1 powder diffractometer data by the Rietveld technique to RF = 3.3 and 7.1%, respectively. They are isostructural with monoclinic Na2ZnSiO4. The powder pattern of Ag2BeSiO4 indicates that it is isostructural with orthorhombic Na2BeSiO4. The conductivity of the compounds has been determined using ac impedance measurements. Ag2ZnSiO4 and Ag2BeSiO4 are ionic conductors, with conductivities that are very similar to those of their corresponding isostructural Na compounds. A…
Molecule-Based Magnets Formed by Bimetallic Three-Dimensional Oxalate Networks and Chiral Tris(bipyridyl) Complex Cations. The Series [ZII(bpy)3][ClO…
2000
The synthesis, structure, and physical properties of the series of molecular magnets formulated as [ZII(bpy)3][ClO4][MIICrIII(ox)3] (ZII = Ru, Fe, Co, and Ni; MII = Mn, Fe, Co, Ni, Cu, and Zn; ox = oxalate dianion) are presented. All the compounds are isostructural to the [Ru(bpy)3][ClO4][MnCr(ox)3] member whose structure (cubic space group P4(1)32 with a = 15.506(2) A, Z = 4) consists of a three-dimensional bimetallic network formed by alternating MII and CrIII ions connected by oxalate anions. The identical chirality (lambda in the solved crystal) of all the metallic centers determines the 3D chiral structure adopted by these compounds. The anionic 3D sublattice leaves some holes where th…
Synthesis, structure and magnetic properties of iron (II), cobalt (II) and nickel (II) complexes of 2,6-bis(pyrazol-3-yl)pyridine and paramagnetic co…
2003
Abstract Iron (II), cobalt (II) and nickel (II) complexes of 2,6-bis(pyrazol-3-yl)pyridine (bpp) with [Cr(C2O4)3]3− have been prepared. They were characterised by single-crystal X-ray diffraction, magnetic susceptibility measurements and thermal gravimetric analyses. All three compounds are isostructural and they are formed by isolated [MII(bpp)2]2+ and [Cr(C2O4)3]3− complexes and free ClO4 −. As expected, only the salt [Fe(bpp)2]2[Cr(C2O4)3]ClO4·5H2O shows a thermal spin transition with transition temperature (T1/2) around 375 K that is correlated to the loss of water molecules.
Synthesis, Crystal Structure and Magneto‐Structural Correlation of an Unusual Thiocyanato‐Bridged Nickel( II ) Compound, [Ni(μ‐NCS)(dpt)(NCS)] 2 [Ni(…
2003
Reaction of Ni(ClO4)2·6H2O with bis(3-aminopropyl)amine (dpt) and ammonium thiocyanate produces the novel thiocyanato-bridged nickel(II) compound [Ni(μ-NCS)(dpt)(NCS)]2[Ni(μ-NCS)(dpt)(NCS)]4, which has been structurally characterised. The structure determination reveals that there are two different molecules in the crystal lattice; one is dinuclear and other is tetranuclear. Low-temperature magnetic measurements show that there are ferro- as well as antiferromagnetic interactions. The ferromagnetic interaction arises from the dinuclear part and the doubly bridged part of the tetranuclear unit; the antiferromagnetic interaction occurs between singly bridged nickel centres in the tetranuclear…
Trans-dicyanobis(acetylacetonato)ruthenate(III) as a precursor to build novel cyanide-bridged RuIII–MII bimetallic compounds [M=Co and Ni]
2006
Abstract The use of the mononuclear complex trans-[Ru(acac)2(CN)2]− as a ligand towards the preformed species [Ni2L(H2O)2Cl2], [Co(dmphen)](NO3)2, [Ni(dmphen)](NO3)2 and [Co(H2O)6](NO3)2 afforded the novel cyanide-bridged bimetallic compounds of formula [{Ru(acac)2(CN)2}{Ni2(L)(H2O)2}]{Ru(acac)2(CN)2}·2H2O (1), [{Ru(acac)2(CN)2}{Co(dmphen)(NO3)}]·H2O (2) and [{Ru(acac)2(CN)2}{Ni(dmphen)(NO3)}]·H2O (3) and [{Ru(acac)2(CN)2}2Co] (4) [Hacac = acetylacetone, dmphen = 2,9-dimethylphenanthroline and H2L = 11,23-dimethyl-3,7,15,19-tetrazatricyclo[19.3.1.19,13]hexacosa-2,7,9,11,13(26),14,19,21(25),22,24-decaene-25,26-diol]. Their syntheses, X-ray crystal structures and magnetic properties are repor…
Why Do Chemically Similar Pharmaceutical Molecules Crystallize in Different Structures: A Case of Droperidol and Benperidol
2016
A detailed study of molecular conformation and intermolecular interactions in the experimental crystal structures and general trends observed in the Cambridge Structural Database as well as theoretical calculations were performed to identify the reason for the formation of different crystal structures of two chemically very similar pharmaceutical molecules benperidol and droperidol. The most important difference between both molecules was the weak intermolecular interactions formed by the central ring which therefore was responsible for the formation of different crystal structures. Cross-seeding experiments were performed to check the possibility for the formation of mutually isostructural…
Designing Solid Solutions of Enantiomers: Lack of Enantioselectivity of Chiral Naphthalimide Derivatives in the Solid State
2017
The enantiomers of a previously reported naphthalimide derivative are shown in this study to form a solid solution; furthermore, on the basis of the knowledge of solid solution structural aspects other naphthalimide derivatives have been synthesized and shown to lack the enantioselectivity in the solid state. The structural origin of solid solution formation is the same as observed in most of the cases in the literaturequasi-centrosymmetric structures form at nonracemic compositions where the most abundant enantiomer adjusts its conformation to mimic the absent one. Such solid solutions belong to the type showing some enantioselectivity. An extended single crystal X-ray diffraction study o…
Interactions between chemical evolution (hydration) and physical evolution (setting) in the case of tricalcium silicate
1994
This paper describes recent experimental results concerning investigation of the parameters which determine, on the one hand, the kinetics of hydration of tricalcium silicate and the thermodynamic, morphological and structural characteristics of C-S-H and, on the other hand, the evolution of the particle interactions at the origin of setting. It is shown that, in both cases, lime concentration in solution is the most important parameter. As a consequence, the chemical evolution of the system, which controls the lime concentration in solution, determines the nature of particle interactions and the physical evolution of the suspension or paste. In return, the contacts, between particles, resu…