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CIF Information Card
Information card for 7101829
7101828 << 7101829 >> 7101830Preview
|
Coordinates |
7101829.cif |
Structure parameters
| Formula | - C16 H8 N2 - |
| Calculated formula | - C16 H8 N2 - |
| Title of publication | A pcu-type metal-organic framework with spindle [Zn7(OH)8]6+ cluster as secondary building units. |
| Authors of publication | Li, Jian-Rong; Tao, Ying; Yu, Qun; Bu, Xian-He |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1527 - 1529 |
| a | 3.7987 ± 0.0009 Å |
| b | 8.398 ± 0.002 Å |
| c | 9.104 ± 0.002 Å |
| α | 72.177 ± 0.004° |
| β | 78.528 ± 0.005° |
| γ | 89.785 ± 0.005° |
| Cell volume | 270.45 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0947 |
| Residual factor for observed reflections | 0.0551 |
| Weighted residual factors for the observed reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for observed reflections | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |