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Information card for entry 4066065
Preview
Coordinates | 4066065.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H24 Fe2 N2 O6 Se2 |
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Calculated formula | C34 H24 Fe2 N2 O6 Se2 |
SMILES | [Se]1([Fe]2([Se]([Fe]12(C#[O])(C#[O])C#[O])C(=N\c1ccc(C)cc1)/c1ccccc1)(C#[O])(C#[O])C#[O])C(=N\c1ccc(C)cc1)/c1ccccc1 |
Title of publication | Reactions of Monoanions [(μ-RE)(μ-E)Fe2(CO)6]−and Dianions [(μ-E)2Fe2(CO)6]2−(E = Se, S) with N-Substituted Benzimidoyl Chlorides, Leading to Novel Butterfly Fe/E Cluster Complexes† |
Authors of publication | Song, Li-Cheng; Mei, Shu-Zhen; Feng, Cui-Ping; Gong, Feng-Hua; Ge, Jian-Hua; Hu, Qing-Mei |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 21 |
Pages of publication | 5050 |
a | 13.5607 ± 0.0019 Å |
b | 14.769 ± 0.002 Å |
c | 17.946 ± 0.003 Å |
α | 77.737 ± 0.002° |
β | 74.268 ± 0.002° |
γ | 77.965 ± 0.002° |
Cell volume | 3336.8 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0905 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0902 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.