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Information card for entry 8107509
Preview
| Coordinates | 8107509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H39 Fe2 N O4 P2 S2 |
|---|---|
| Calculated formula | C48 H39 Fe2 N O4 P2 S2 |
| Title of publication | Crystal structure of tetracarbonyl-{μ-[N-(diphenylphosphanyl)-N,P,P-triphenylphosphinous amide]}-bis[μ-(phenylmethanethiolato)]diiron (Fe–Fe), C48H39Fe2NO4P2S2 |
| Authors of publication | Gao, Xin-Ping; 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 | 607 - 609 |
| a | 11.4073 ± 0.0011 Å |
| b | 16.9013 ± 0.0014 Å |
| c | 11.8261 ± 0.0012 Å |
| α | 90° |
| β | 108.297 ± 0.004° |
| γ | 90° |
| Cell volume | 2164.8 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286398 (current) | 2023-09-19 | cif/ Adding structures of 8107509 via cif-deposit CGI script. |
8107509.cif |
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