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Information card for entry 1564099
Preview
| Coordinates | 1564099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 N2 Ni O6 |
|---|---|
| Calculated formula | C20 H26 N2 Ni O6 |
| Title of publication | On new solvatomorphs of the metalloligand [Ni(o-van-en)] |
| Authors of publication | Vráblová, Anna; Tomás, Milagros; Titiš, Ján; Černák, Juraj; Falvello, Larry R. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 512 |
| Pages of publication | 119874 |
| a | 7.846 ± 0.0002 Å |
| b | 11.4533 ± 0.0003 Å |
| c | 12.2907 ± 0.0003 Å |
| α | 76.702 ± 0.002° |
| β | 79.967 ± 0.002° |
| γ | 70.233 ± 0.002° |
| Cell volume | 1005.9 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267436 (current) | 2021-07-09 | cif/ Adding structures of 1564099 via cif-deposit CGI script. |
1564099.cif |
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Users of the data should acknowledge the original authors of the
structural data.