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CIF Information Card
Information card for 7015542
7015541 << 7015542 >> 7015543Preview
|
Coordinates |
7015542.cif |
Structure parameters
| Formula | - C50 H50.5 I1.5 N8.5 Ni3 O11.5 - |
| Calculated formula | - C50 H44 I1.654 N8.68 Ni3 O12.36 - |
| 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 | 24.0128 ± 0.0012 Å |
| b | 15.698 ± 0.0007 Å |
| c | 15.7309 ± 0.0007 Å |
| α | 90° |
| β | 101.01 ± 0.002° |
| γ | 90° |
| Cell volume | 5820.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0991 |
| Residual factor for observed reflections | 0.0778 |
| Weighted residual factors for the observed reflections | 0.2088 |
| Weighted residual factors for all reflections included in the refinement | 0.2183 |
| Goodness-of-fit parameter for observed reflections | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |