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CIF Information Card
Information card for 7101831
7101830 << 7101831 >> 7101832Preview
|
Coordinates |
7101831.cif |
Structure parameters
| Formula | - C30 H46 N12 Ni O13 S - |
| Calculated formula | - C30 H32 N12 Ni O13 S - |
| Title of publication | Sulfate separation by selective crystallization of a urea-functionalized metal-organic framework. |
| Authors of publication | Custelcean, Radu; Sellin, Vincent; Moyer, Bruce A |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1541 - 1543 |
| a | 13.237 ± 0.003 Å |
| b | 13.908 ± 0.003 Å |
| c | 23.358 ± 0.005 Å |
| α | 90° |
| β | 95.11 ± 0.03° |
| γ | 90° |
| Cell volume | 4283 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1153 |
| Residual factor for observed reflections | 0.0825 |
| Weighted residual factors for the observed reflections | 0.2213 |
| Weighted residual factors for all reflections included in the refinement | 0.2542 |
| Goodness-of-fit parameter for observed reflections | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |