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Information card for entry 7011332
Preview
Coordinates | 7011332.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H37 Co Fe N11 O5 |
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Calculated formula | C17 H37 Co Fe N11 O5 |
SMILES | CC12C[NH]3CC[NH]4CCC[NH]5CC[NH](C1)[Co]345([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)[NH2]2.O.O.O.O.O |
Title of publication | The influence of cis/trans isomerism on the physical properties of a cyano-bridged dinuclear mixed valence complex |
Authors of publication | Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1435 - 1441 |
a | 9.965 ± 0.002 Å |
b | 13.311 ± 0.001 Å |
c | 20.226 ± 0.004 Å |
α | 90° |
β | 90.72 ± 0.01° |
γ | 90° |
Cell volume | 2682.6 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1658 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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