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Information card for entry 2243672
Preview
| Coordinates | 2243672.cif |
|---|---|
| Structure factors | 2243672.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>SP</i>-4-2)-<i>cis</i>-Bis[8-(dimethylphosphanyl)quinoline-κ^2^<i>N</i>,<i>P</i>]nickel(II) bis(perchlorate) nitromethane monosolvate |
|---|---|
| Formula | C23 H27 Cl2 N3 Ni O10 P2 |
| Calculated formula | C23 H27 Cl2 N3 Ni O10 P2 |
| SMILES | [Ni]12([P](c3cccc4ccc[n]1c34)(C)C)[P](c1cccc3ccc[n]2c13)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=N(=O)C |
| Title of publication | Comparison of molecular structures of <i>cis</i>-bis[8-(dimethylphosphanyl)quinoline]nickel(II) and -platinum(II) complex cations |
| Authors of publication | Mori, Masatoshi; Suzuki, Takayoshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 12 |
| Pages of publication | 1813 - 1817 |
| a | 17.8114 ± 0.0013 Å |
| b | 8.9398 ± 0.0006 Å |
| c | 18.0245 ± 0.0014 Å |
| α | 90° |
| β | 100.524 ± 0.003° |
| γ | 90° |
| Cell volume | 2821.8 ± 0.4 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243672.cif 2243672.hkl |
| 259030 | 2020-11-07 | cif/ hkl/ Adding structures of 2243672, 2243673 via cif-deposit CGI script. |
2243672.cif 2243672.hkl |
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Users of the data should acknowledge the original authors of the
structural data.