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Information card for entry 7122396
Preview
| Coordinates | 7122396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H69 Cl2 Fe O P3 |
|---|---|
| Calculated formula | C36 H69 Cl2 Fe O P3 |
| Title of publication | Triphos-Fe dinitrogen and dinitrogen-hydride complexes: relevance to catalytic N<sub>2</sub> reductions. |
| Authors of publication | Cavaillé, Anthony; Joyeux, Benjamin; Saffon-Merceron, Nathalie; Nebra, Noel; Fustier-Boutignon, Marie; Mézailles, Nicolas |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 84 |
| Pages of publication | 11953 - 11956 |
| a | 24.9372 ± 0.0011 Å |
| b | 14.9752 ± 0.0006 Å |
| c | 23.2922 ± 0.0016 Å |
| α | 90° |
| β | 116.275 ± 0.0018° |
| γ | 90° |
| Cell volume | 7799.5 ± 0.7 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122396.cif |
| 228482 | 2019-11-17 | cif/ Updating files of 7122394, 7122395, 7122396, 7122397 Original log message: Adding full bibliography for 7122394--7122397.cif. |
7122396.cif |
| 211220 | 2018-09-29 | cif/ Adding structures of 7122394, 7122395, 7122396, 7122397 via cif-deposit CGI script. |
7122396.cif |
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Users of the data should acknowledge the original authors of the
structural data.