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Information card for entry 4308271
Preview
| Coordinates | 4308271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PCN-5 |
|---|---|
| Formula | C48 H30 N6 Ni3 O16 |
| Calculated formula | C48 H24 N6 Ni3 O16 |
| Title of publication | Metal-Organic Framework Based on a Trinickel Secondary Building Unit Exhibiting Gas-Sorption Hysteresis |
| Authors of publication | Shengqian Ma; Xi-Sen Wang; Erika S. Manis; Christopher D. Collier; Hong-Cai Zhou |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3432 - 3434 |
| a | 30.175 ± 0.003 Å |
| b | 21.108 ± 0.003 Å |
| c | 16.762 ± 0.002 Å |
| α | 90° |
| β | 123.188 ± 0.002° |
| γ | 90° |
| Cell volume | 8934.8 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0622 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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