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Information card for entry 4319110
Preview
Coordinates | 4319110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H10 Cl24 Cr2 Fe O12 |
---|---|
Calculated formula | C46 H10 Cl24 Cr2 Fe O12 |
SMILES | c12c(c(c(c(c2O[Cr]23(Oc4c(Cl)c(c(c(c4O2)Cl)Cl)Cl)(O1)Oc1c(c(c(c(c1O3)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[cH]12[cH]3[Fe]4567892([cH]1[cH]4[cH]37)[cH]1[cH]9[cH]8[cH]6[cH]51.c12c(c(c(c(c1O[Cr]13(O2)(Oc2c(c(c(c(c2O1)Cl)Cl)Cl)Cl)Oc1c(c(c(c(c1O3)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
Title of publication | New Molecular Assemblies of Redox Isomers, [CrIII(X4SQ)3-n (X4Cat)n]-n(X = Cl and Br; n = 0, 1, and 2), with Metallocenium Cations, [MIIICp2]+ (M = Co and Fe): X-ray Crystal Structures and Physical Properties |
Authors of publication | Ho-Chol Chang; Hitoshi Miyasaka; Susumu Kitagawa |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 146 - 156 |
a | 23.904 ± 0.002 Å |
b | 17.807 ± 0.003 Å |
c | 16.6538 ± 0.0004 Å |
α | 90° |
β | 123.285 ± 0.0005° |
γ | 90° |
Cell volume | 5925.9 ± 1.1 Å3 |
Cell temperature | 296.2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for all reflections included in the refinement | 0.0455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.615 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4319110.html
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