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CIF Information Card
Information card for 7101840
7101839 << 7101840 >> 7101841Preview
|
Coordinates |
7101840.cif |
Structure parameters
| Formula | - C49 H59 N3 O30 Zn4 - |
| Calculated formula | - C49 H53 N3 O30 Zn4 - |
| Title of publication | Ligand flexibility and framework rearrangement in a new family of porous metal-organic frameworks. |
| Authors of publication | Hawxwell, Samuel M; Espallargas, Guillermo Mínguez; Bradshaw, Darren; Rosseinsky, Matthew J; Prior, Timothy J; Florence, Alastair J; van de Streek, Jacco; Brammer, Lee |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 15 |
| Pages of publication | 1532 - 1534 |
| a | 13.0757 ± 0.0006 Å |
| b | 14.1157 ± 0.0007 Å |
| c | 16.6631 ± 0.0008 Å |
| α | 66.602 ± 0.001° |
| β | 87.138 ± 0.001° |
| γ | 89.757 ± 0.001° |
| Cell volume | 2818.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0566 |
| Residual factor for observed reflections | 0.0499 |
| Weighted residual factors for the observed reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for observed reflections | 1.116 |
| Diffraction radiation wavelength | 0.846 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |