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CIF Information Card
Information card for 7101740
7101739 << 7101740 >> 7101741Preview
|
Coordinates |
7101740.cif |
Structure parameters
| Formula | - C71.4 H67.6 N7.8 Ni3 O17.8 - |
| Calculated formula | - C57 H33 N3 Ni3 O13 - |
| Title of publication | Twelve-connected porous metal-organic frameworks with high H(2) adsorption. |
| Authors of publication | Jia, Junhua; Lin, Xiang; Wilson, Claire; Blake, Alexander J; Champness, Neil R; Hubberstey, Peter; Walker, Gavin; Cussen, Edmund J; Schröder, Martin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 8 |
| Pages of publication | 840 - 842 |
| a | 18.9996 ± 0.0016 Å |
| b | 18.9996 ± 0.0016 Å |
| c | 45.997 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14380 ± 7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | R -3 c :H |
| Hall symmetry space group | -R 3 2"c |
| Residual factor for all reflections | 0.0491 |
| Residual factor for observed reflections | 0.0423 |
| Weighted residual factors for the observed reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for observed reflections | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |