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Information card for entry 4002931
Preview
| Coordinates | 4002931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H32.67 In2 O10.67 |
|---|---|
| Calculated formula | C53 H28 In2 O10.6667 |
| Title of publication | Solvent-Assisted, Thermally Triggered Structural Transformation in Flexible Mesoporous Metal‒Organic Frameworks |
| Authors of publication | Pang, Jiandong; Wu, Mingyan; Qin, Jun-Sheng; Liu, Caiping; Lollar, Christina T.; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| a | 30.358 ± 0.004 Å |
| b | 30.358 Å |
| c | 35.177 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 28076 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 192 |
| Hermann-Mauguin space group symbol | P 6/m c c |
| Hall space group symbol | -P 6 2c |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220314 (current) | 2019-10-29 | cif/ Adding structures of 4002931, 4002932, 4002933, 4002934, 4002935 via cif-deposit CGI script. |
4002931.cif |
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Users of the data should acknowledge the original authors of the
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