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Information card for entry 4084622
Preview
| Coordinates | 4084622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H74 N2 O2 P4 Zn2 |
|---|---|
| Calculated formula | C67 H74 N2 O2 P4 Zn2 |
| SMILES | [Zn]1(N(P(c2ccccc2)c2ccccc2)[P]([Zn](N(P(c2ccccc2)c2ccccc2)[P]1(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1)(CC)[O]1CCCC1.Cc1ccccc1.O1CCCC1 |
| 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 | 16.7212 ± 0.0009 Å |
| b | 12.2921 ± 0.0006 Å |
| c | 30.4471 ± 0.0014 Å |
| α | 90° |
| β | 98.576 ± 0.003° |
| γ | 90° |
| Cell volume | 6188.1 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0932 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 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. |
4084622.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. |
4084622.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. |
4084622.cif |
| 126214 | 2014-11-04 | cif/ Adding structures of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 via cif-deposit CGI script. |
4084622.cif |
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