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Information card for entry 4084626
Preview
| Coordinates | 4084626.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H34 N P3 |
|---|---|
| Calculated formula | C30 H34 N P3 |
| SMILES | P(P(=NP(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines |
| Authors of publication | Dickie, Diane A.; Kemp, Richard A. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 6511 |
| a | 10.4058 ± 0.0005 Å |
| b | 10.7839 ± 0.0005 Å |
| c | 13.0957 ± 0.0006 Å |
| α | 109.45 ± 0.003° |
| β | 106.448 ± 0.003° |
| γ | 90.34 ± 0.003° |
| Cell volume | 1320.78 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
4084626.cif |
| 178735 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46. |
4084626.cif |
| 131431 | 2015-02-07 | cif/ Updating files of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 Original log message: Adding full bibliography for 4084620--4084627.cif. |
4084626.cif |
| 126214 | 2014-11-04 | cif/ Adding structures of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 via cif-deposit CGI script. |
4084626.cif |
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Users of the data should acknowledge the original authors of the
structural data.