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Information card for entry 7234017
Preview
| Coordinates | 7234017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H52 Cu2 N6 O16 |
|---|---|
| Calculated formula | C22 H13 Cu2 N O10 |
| Title of publication | Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy |
| Authors of publication | He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| a | 18.5762 ± 0.0005 Å |
| b | 18.5762 ± 0.0005 Å |
| c | 23.8042 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7113.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1159 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for significantly intense reflections | 0.3623 |
| Weighted residual factors for all reflections included in the refinement | 0.417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218645 (current) | 2019-09-21 | cif/ Adding structures of 7234015, 7234016, 7234017 via cif-deposit CGI script. |
7234017.cif |
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Users of the data should acknowledge the original authors of the
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