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Information card for entry 4084620
Preview
| Coordinates | 4084620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H25 N P2 |
|---|---|
| Calculated formula | C18 H25 N P2 |
| SMILES | N(P(C(C)C)C(C)C)P(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 | 10.0449 ± 0.0003 Å |
| b | 11.6762 ± 0.0004 Å |
| c | 15.8121 ± 0.0005 Å |
| α | 82.9 ± 0.002° |
| β | 85.438 ± 0.001° |
| γ | 84.075 ± 0.001° |
| Cell volume | 1826.3 ± 0.1 Å3 |
| Cell temperature | 228 ± 2 K |
| Ambient diffraction temperature | 228 ± 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 | 0.0454 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| 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 | 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. |
4084620.cif |
| 288505 | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4084620.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. |
4084620.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. |
4084620.cif |
| 126214 | 2014-11-04 | cif/ Adding structures of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 via cif-deposit CGI script. |
4084620.cif |
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Users of the data should acknowledge the original authors of the
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