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Information card for entry 7127772
Preview
| Coordinates | 7127772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H42 Cl8 Ni2 O14 P2 |
|---|---|
| Calculated formula | C32 H42 Cl8 Ni2 O14 P2 |
| Title of publication | Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands. |
| Authors of publication | Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | 1194 - 1197 |
| a | 8.911 ± 0.0005 Å |
| b | 11.1675 ± 0.0006 Å |
| c | 11.8597 ± 0.0007 Å |
| α | 108.483 ± 0.0015° |
| β | 97.6582 ± 0.0016° |
| γ | 100.322 ± 0.0015° |
| Cell volume | 1078.12 ± 0.11 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7127772.cif |
| 262468 | 2021-03-05 | cif/ Updating files of 7127772, 7127773, 7127774, 7127775 Original log message: Adding full bibliography for 7127772--7127775.cif. |
7127772.cif |
| 260500 | 2021-01-05 | cif/ Adding structures of 7127772, 7127773, 7127774, 7127775 via cif-deposit CGI script. |
7127772.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.