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CIF Information Card
Information card for 7015539
7015538 << 7015539 >> 7015540Preview
|
Coordinates |
7015539.cif |
Structure parameters
| Formula | - C56 H68 Cl4 N8 Ni4 O12 - |
| Calculated formula | - C56 H46 Cl4 N8 Ni4 O12 - |
| Title of publication | High-spin Ni(II) clusters: triangles and planar tetranuclear complexes. |
| Authors of publication | Katsenis, Athanassios D.; Kessler, Vadim G.; Papaefstathiou, Giannis S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4590 - 4598 |
| a | 14.098 ± 0.004 Å |
| b | 17.364 ± 0.005 Å |
| c | 11.925 ± 0.004 Å |
| α | 90° |
| β | 100.253 ± 0.005° |
| γ | 90° |
| Cell volume | 2872.6 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0897 |
| Residual factor for observed reflections | 0.0462 |
| Weighted residual factors for the observed reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for observed reflections | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |