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Information card for entry 7700717
Preview
| Coordinates | 7700717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H48 B2 N8 Ni |
|---|---|
| Calculated formula | C32 H48 B2 N8 Ni |
| Title of publication | Synthesis and characterization of bis(pyrazolyl)borate Ni(ii) complexes: ligand rearrangement and transformation. |
| Authors of publication | Zhao, Qianyi; Guan, Xin-Ting; Dou, Ting; Cao, Hou-Ji; Ma, Na-Na; Xu, Ting; Gao, Peng-Hui; Kong, Xiao-Hua; Zhang, Jie; Chen, Xuenian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 35 |
| Pages of publication | 13242 - 13247 |
| a | 8.8173 ± 0.0004 Å |
| b | 24.0412 ± 0.001 Å |
| c | 15.2894 ± 0.0009 Å |
| α | 90° |
| β | 96.95 ± 0.004° |
| γ | 90° |
| Cell volume | 3217.2 ± 0.3 Å3 |
| Cell temperature | 293.99 ± 0.18 K |
| Ambient diffraction temperature | 293.99 ± 0.18 K |
| Number of distinct elements | 5 |
| 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 | 0.0607 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7700717.cif |
| 224501 | 2019-11-08 | cif/ Updating files of 7700714, 7700715, 7700716, 7700717, 7700718 Original log message: Adding full bibliography for 7700714--7700718.cif. |
7700717.cif |
| 217371 | 2019-08-03 | cif/ Adding structures of 7700714, 7700715, 7700716, 7700717, 7700718 via cif-deposit CGI script. |
7700717.cif |
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Users of the data should acknowledge the original authors of the
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