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Information card for entry 8107512
Preview
| Coordinates | 8107512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H37 Fe2 N O4 P2 Se2 |
|---|---|
| Calculated formula | C47 H37 Fe2 N O4 P2 Se2 |
| Title of publication | Crystal structure of bis(μ-benzeneselenolato)-(μ-[N-benzyl-N-(diphenylphosphanyl)-P,P-diphenylphosphinous amide])-tetracarbonyl diiron (Fe–Fe), C47H37Fe2NO4P2Se2 |
| Authors of publication | Bai, Shu-Fen; Lü, Shuang; Li, Qian-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 4 |
| Pages of publication | 619 - 621 |
| a | 12.8144 ± 0.0011 Å |
| b | 17.9714 ± 0.0015 Å |
| c | 19.1077 ± 0.0017 Å |
| α | 90° |
| β | 104.329 ± 0.004° |
| γ | 90° |
| Cell volume | 4263.5 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286401 (current) | 2023-09-19 | cif/ Adding structures of 8107512 via cif-deposit CGI script. |
8107512.cif |
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Users of the data should acknowledge the original authors of the
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