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Information card for entry 4087851
Preview
| Coordinates | 4087851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H37 Cl6 Fe O P3 |
|---|---|
| Calculated formula | C45 H37 Cl6 Fe O P3 |
| Title of publication | Photo- and Thermal Isomerization of (TP)Fe(CO)Cl2 [TP = Bis(2-diphenylphosphinophenyl)phenylphosphine] |
| Authors of publication | Li, Ping; de Bruin, Bas; Reek, Joost N. H.; Dzik, Wojciech I. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 5009 |
| a | 9.9523 ± 0.0006 Å |
| b | 23.948 ± 0.0014 Å |
| c | 18.0094 ± 0.001 Å |
| α | 90° |
| β | 97.046 ± 0.002° |
| γ | 90° |
| Cell volume | 4259.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0761 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237050 (current) | 2019-11-24 | cif/ Adding structures of 4087851 via cif-deposit CGI script. |
4087851.cif |
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