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CIF Information Card
Information card for 7205816
7205815 << 7205816 >> 7205817Preview
|
Coordinates |
7205816.cif |
Structure parameters
| Formula | - C82 H99 Br6 N9 Ni3 O28 - |
| Calculated formula | - C82 H99 Br6 N9 Ni3 O28 - |
| Title of publication | Nuclearity growth towards Ni(ii) cubane in self-assembly with 2-hydroxymethyl pyridine (hmpH) and 5-ethoxycarbonyl-2-hydroxymethyl pyridine (5-ehmpH) |
| Authors of publication | Zhang, Wen-Hua; Sulaiman, Norlela Binte; Tio, P. X. Shaun; Hor, T. S. Andy |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2915 |
| a | 28.336 ± 0.006 Å |
| b | 8.9991 ± 0.0018 Å |
| c | 21.869 ± 0.004 Å |
| α | 90° |
| β | 110.33 ± 0.03° |
| γ | 90° |
| Cell volume | 5229 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.1406 |
| Residual factor for observed reflections | 0.0802 |
| Weighted residual factors for the observed reflections | 0.1967 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for observed reflections | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |