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Information card for entry 4109812
Preview
| Coordinates | 4109812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H79 Fe2 S4 |
|---|---|
| Calculated formula | C85 H79 Fe2 S4 |
| Title of publication | Synthesis of New [8Fe-7S] Clusters: A Topological Link between the Core Structures of P-Cluster, FeMo-co, and FeFe-co of Nitrogenases |
| Authors of publication | Yasuhiro Ohki; Yohei Ikagawa; Kazuyuki Tatsumi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10457 - 10465 |
| a | 12.378 ± 0.002 Å |
| b | 22.072 ± 0.004 Å |
| c | 13.876 ± 0.002 Å |
| α | 90° |
| β | 92.644 ± 0.002° |
| γ | 90° |
| Cell volume | 3787 ± 1.1 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109812.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109812.cif |
| 58590 | 2012-05-29 | cif/ Adding structures of 4109812 via cif-deposit CGI script. |
4109812.cif |
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Users of the data should acknowledge the original authors of the
structural data.