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Information card for entry 4135000
Preview
| Coordinates | 4135000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H80 Fe2 N4 P6 |
|---|---|
| Calculated formula | C55 H80 Fe2 N4 P6 |
| Title of publication | Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen. |
| Authors of publication | Arnett, Charles H.; Agapie, Theodor |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 32.05 ± 0.02 Å |
| b | 11.137 ± 0.011 Å |
| c | 16.323 ± 0.012 Å |
| α | 90° |
| β | 94.19 ± 0.03° |
| γ | 90° |
| Cell volume | 5811 ± 8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.102 |
| Residual factor for significantly intense reflections | 0.0801 |
| Weighted residual factors for significantly intense reflections | 0.1846 |
| Weighted residual factors for all reflections included in the refinement | 0.197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252178 (current) | 2020-05-20 | cif/ Adding structures of 4134998, 4134999, 4135000, 4135001, 4135002, 4135003 via cif-deposit CGI script. |
4135000.cif |
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Users of the data should acknowledge the original authors of the
structural data.