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Information card for entry 7229772
Preview
| Coordinates | 7229772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Cl2 N2 Ni O4 |
|---|---|
| Calculated formula | C20 H22 Cl2 N2 Ni O4 |
| Title of publication | Testing the limits of halogen bonding in coordination chemistry |
| Authors of publication | Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 5 |
| Pages of publication | 539 |
| a | 9.1894 ± 0.0002 Å |
| b | 9.987 ± 0.0003 Å |
| c | 13.4819 ± 0.0005 Å |
| α | 73.422 ± 0.003° |
| β | 71.424 ± 0.003° |
| γ | 85.191 ± 0.002° |
| Cell volume | 1124.05 ± 0.06 Å3 |
| Cell temperature | 296 ± 3 K |
| Ambient diffraction temperature | 296.15 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228954 (current) | 2019-11-17 | cif/ Updating files of 7229768, 7229769, 7229770, 7229771, 7229772, 7229773, 7229774, 7229775, 7229776, 7229777, 7229778, 7229779, 7229780 Original log message: Adding full bibliography for 7229768--7229780.cif. |
7229772.cif |
| 204503 | 2017-12-23 | cif/ Adding structures of 7229768, 7229769, 7229770, 7229771, 7229772, 7229773, 7229774, 7229775, 7229776, 7229777, 7229778, 7229779, 7229780 via cif-deposit CGI script. |
7229772.cif |
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Users of the data should acknowledge the original authors of the
structural data.