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CIF Information Card
Information card for 7205815
7205814 << 7205815 >> 7205816Preview
|
Coordinates |
7205815.cif |
Structure parameters
| Formula | - C110 H139 Br12 N13 Ni6 O38 - |
| Calculated formula | - C110 H139 Br12 N13 Ni6 O38 - |
| 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 | 13.7506 ± 0.0005 Å |
| b | 22.6852 ± 0.0008 Å |
| c | 25.2982 ± 0.0008 Å |
| α | 110.525 ± 0.001° |
| β | 93.087 ± 0.001° |
| γ | 105.933 ± 0.001° |
| Cell volume | 7007.1 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1121 |
| Residual factor for observed reflections | 0.0693 |
| Weighted residual factors for the observed reflections | 0.1866 |
| Weighted residual factors for all reflections included in the refinement | 0.2088 |
| Goodness-of-fit parameter for observed reflections | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |