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Information card for entry 4002939
Preview
| Coordinates | 4002939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H32.67 Fe2 O10.67 |
|---|---|
| Calculated formula | C53 H28 Fe2 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 | 31.3244 ± 0.001 Å |
| b | 31.324 Å |
| c | 33.2713 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 28272.3 ± 1.4 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 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 | 0.0461 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.524 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220315 (current) | 2019-10-29 | cif/ Adding structures of 4002936, 4002937, 4002938, 4002939, 4002940, 4002941 via cif-deposit CGI script. |
4002939.cif |
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Users of the data should acknowledge the original authors of the
structural data.