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Information card for entry 4132474
Preview
| Coordinates | 4132474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H46 Cu F6 N9 P Zn |
|---|---|
| Calculated formula | C63 H46 Cu F6 N9 P Zn |
| Title of publication | Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process. |
| Authors of publication | Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 31 |
| Pages of publication | 9904 - 9911 |
| a | 9.55 ± 0.002 Å |
| b | 31.109 ± 0.008 Å |
| c | 19.849 ± 0.005 Å |
| α | 90° |
| β | 90.768 ± 0.003° |
| γ | 90° |
| Cell volume | 5896 ± 2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1206 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242447 (current) | 2019-11-26 | cif/ Adding structures of 4132474 via cif-deposit CGI script. |
4132474.cif |
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