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Information card for entry 8104774
Preview
| Coordinates | 8104774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Fe2 O6 P S2 |
|---|---|
| Calculated formula | C26 H21 Fe2 O6 P S2 |
| Title of publication | The crystal structure of pentakis(carbonyl)-{μ-[2,3-bis(sulfanyl)propan-1-olato]}-(triphenylphosphane)diiron (Fe–Fe)C26H21Fe2O6PS2 |
| Authors of publication | Gao, Wei; Bai, Yan-Jie; Mao, Jia-Le; Guo, Xue-Quan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 587 - 589 |
| a | 9.0892 ± 0.0006 Å |
| b | 27.6631 ± 0.0018 Å |
| c | 11.3409 ± 0.0008 Å |
| α | 90° |
| β | 106.409 ± 0.002° |
| γ | 90° |
| Cell volume | 2735.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1081 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273734 (current) | 2022-03-16 | cif/ Adding structures of 8104774 via cif-deposit CGI script. |
8104774.cif |
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Users of the data should acknowledge the original authors of the
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