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Information card for entry 4084247
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Coordinates | 4084247.cif |
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Original paper (by DOI) | HTML |
Chemical name | [{Fe(CO)~3~}~2~(μ~2~-1,8-Se~2~-2,7-di-<i>tert</i>-butyl-naph)] |
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Formula | C24 H22 Fe2 O6 Se2 |
Calculated formula | C24 H22 Fe2 O6 Se2 |
SMILES | c12c(ccc3ccc(c(c13)[Se]1[Fe]3(C#[O])(C#[O])(C#[O])[Fe]1(C#[O])(C#[O])(C#[O])[Se]23)C(C)(C)C)C(C)(C)C |
Title of publication | [FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides |
Authors of publication | Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 17 |
Pages of publication | 4449 |
a | 7.4151 ± 0.0005 Å |
b | 17.8152 ± 0.0013 Å |
c | 18.9707 ± 0.0013 Å |
α | 90° |
β | 90.795 ± 0.012° |
γ | 90° |
Cell volume | 2505.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0876 |
Residual factor for significantly intense reflections | 0.0494 |
Weighted residual factors for significantly intense reflections | 0.1065 |
Weighted residual factors for all reflections included in the refinement | 0.1283 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71075 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/4084247.html
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