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CIF Information Card
Information card for 7205817
7205816 << 7205817 >> 7205818Preview
|
Coordinates |
7205817.cif |
Structure parameters
| Formula | - C36 H48 Br4 N4 Ni4 O16 - |
| Calculated formula | - C36 H48 Br4 N4 Ni4 O16 - |
| 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 | 17.1496 ± 0.0004 Å |
| b | 17.1496 ± 0.0004 Å |
| c | 16.3976 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4822.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | I 41/a :2 |
| Hall symmetry space group | -I 4ad |
| Residual factor for all reflections | 0.03 |
| Residual factor for observed reflections | 0.0264 |
| Weighted residual factors for the observed reflections | 0.0679 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for observed reflections | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |