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Information card for entry 4064891
Preview
Coordinates | 4064891.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H7 Fe2 N O7 Se2 |
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Calculated formula | C10 H7 Fe2 N O7 Se2 |
SMILES | [Se]12[Fe]3([Se]([Fe]13(C#[O])(C#[O])C#[O])CN(C2)C(=O)C)(C#[O])(C#[O])C#[O] |
Title of publication | Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases |
Authors of publication | Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 15 |
Pages of publication | 4097 |
a | 7.5704 ± 0.0015 Å |
b | 9.0774 ± 0.0018 Å |
c | 12.941 ± 0.003 Å |
α | 106.32 ± 0.03° |
β | 95.94 ± 0.03° |
γ | 111.62 ± 0.03° |
Cell volume | 771.8 ± 0.4 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.1045 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.0862 |
Weighted residual factors for all reflections included in the refinement | 0.0991 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
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/4064891.html
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