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Information card for entry 7701837
Preview
| Coordinates | 7701837.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tBu-PBP-Pd-N3 |
|---|---|
| Formula | C24 H44 B N5 P2 Pd |
| Calculated formula | C24 H44 B N5 P2 Pd |
| Title of publication | Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity |
| Authors of publication | Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 12.2561 ± 0.0003 Å |
| b | 16.6838 ± 0.0003 Å |
| c | 14.5569 ± 0.0003 Å |
| α | 90° |
| β | 105.454 ± 0.002° |
| γ | 90° |
| Cell volume | 2868.95 ± 0.11 Å3 |
| Cell temperature | 294.5 ± 0.6 K |
| Ambient diffraction temperature | 294.5 ± 0.6 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701837.cif |
| 225379 | 2019-11-08 | cif/ Adding structures of 7701836, 7701837, 7701838, 7701839, 7701840, 7701841, 7701842, 7701843, 7701844 via cif-deposit CGI script. |
7701837.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.