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Information card for entry 7700714
Preview
| Coordinates | 7700714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H40 B2 N8 Ni |
|---|---|
| Calculated formula | C28 H40 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 | 7.5258 ± 0.0002 Å |
| b | 9.323 ± 0.0003 Å |
| c | 10.6602 ± 0.0004 Å |
| α | 89.771 ± 0.002° |
| β | 80.615 ± 0.002° |
| γ | 66.6289 ± 0.0018° |
| Cell volume | 675.87 ± 0.04 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0821 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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. |
7700714.cif |
| 224501 | 2019-11-08 | cif/ Updating files of 7700714, 7700715, 7700716, 7700717, 7700718 Original log message: Adding full bibliography for 7700714--7700718.cif. |
7700714.cif |
| 217371 | 2019-08-03 | cif/ Adding structures of 7700714, 7700715, 7700716, 7700717, 7700718 via cif-deposit CGI script. |
7700714.cif |
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Users of the data should acknowledge the original authors of the
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