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Information card for entry 4135001
Preview
| Coordinates | 4135001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H92 Fe2 N2 P6 |
|---|---|
| Calculated formula | C60 H92 Fe2 N2 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 | 21.364 ± 0.007 Å |
| b | 18.351 ± 0.004 Å |
| c | 29.604 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11606 ± 5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1317 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4135001.cif |
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Users of the data should acknowledge the original authors of the
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