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Information card for entry 4088846
Preview
| Coordinates | 4088846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | meso-1-benzhydryl-3,7-dicyclohexyl-1,3,7-azadiphosphocane |
|---|---|
| Formula | C30 H43 N P2 |
| Calculated formula | C30 H43 N P2 |
| SMILES | C1CP(CN(C(c2ccccc2)c2ccccc2)CP(C1)C1CCCCC1)C1CCCCC1 |
| Title of publication | Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2 |
| Authors of publication | Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 17 |
| Pages of publication | 2965 |
| a | 5.6899 ± 0.0003 Å |
| b | 25.685 ± 0.0012 Å |
| c | 9.5148 ± 0.0004 Å |
| α | 90° |
| β | 107.034 ± 0.002° |
| γ | 90° |
| Cell volume | 1329.54 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0558 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088846.cif |
| 237853 | 2019-11-24 | cif/ Adding structures of 4088841, 4088842, 4088843, 4088844, 4088845, 4088846, 4088847 via cif-deposit CGI script. |
4088846.cif |
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Users of the data should acknowledge the original authors of the
structural data.