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Information card for entry 4071806
Preview
Coordinates | 4071806.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H36 Fe P2 Si |
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Calculated formula | C33 H36 Fe P2 Si |
SMILES | [Fe]12345([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Synthesis and cyclic voltammetric studies of diiron complexes, ER(2)[(eta-C(5)H(4))Fe(L(2))Me](2) (E = C, Si, Ge, Sn; R = H, alkyl; L(2) = diphosphine] and (eta-C(5)H(5))Fe(L(2))ER(2)Fc [Fc = (eta-C(5)H(4))Fe(eta-C(5)H(5))]. |
Authors of publication | Kumar, Mukesh; Cervantes-Lee, Francisco; Pannell, Keith H.; Shao, Jianguo |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 18 |
Pages of publication | 4739 - 4748 |
a | 12.3242 ± 0.0012 Å |
b | 12.3981 ± 0.0012 Å |
c | 19.511 ± 0.0019 Å |
α | 90° |
β | 98.403 ± 0.002° |
γ | 90° |
Cell volume | 2949.2 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0769 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1586 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 0.71073 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/4071806.html
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Users of the data should acknowledge the original authors of the
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