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CIF Information Card
Information card for 7205814
7205813 << 7205814 >> 7205815Preview
|
Coordinates |
7205814.cif |
Structure parameters
| Formula | - C32 H36 N4 Ni4 O12 - |
| Calculated formula | - C32 H36 N4 Ni4 O12 - |
| 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 | 17.2034 ± 0.0008 Å |
| b | 12.6231 ± 0.0007 Å |
| c | 16.8913 ± 0.0009 Å |
| α | 90° |
| β | 105.234 ± 0.001° |
| γ | 90° |
| Cell volume | 3539.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0362 |
| Residual factor for observed reflections | 0.0314 |
| Weighted residual factors for the observed reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for observed reflections | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |