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Information card for entry 7224916
Preview
| Coordinates | 7224916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H17 Fe N O S5 |
|---|---|
| Calculated formula | C21 H17 Fe N O S5 |
| Title of publication | Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases |
| Authors of publication | Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 18.56 ± 0.002 Å |
| b | 11.0529 ± 0.0014 Å |
| c | 20.512 ± 0.002 Å |
| α | 90° |
| β | 92.173 ± 0.003° |
| γ | 90° |
| Cell volume | 4204.8 ± 0.8 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 6 |
| 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182097 (current) | 2016-04-13 | cif/ Adding structures of 7224913, 7224914, 7224915, 7224916 via cif-deposit CGI script. |
7224916.cif |
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