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Information card for entry 1561582
Preview
| Coordinates | 1561582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13.71 H6.86 O7.86 V |
|---|---|
| Calculated formula | C13.7143 H6.85714 O7.85714 V |
| Title of publication | Hydrothermal crystal growth and Vernier structures of the metal benzenedicarboxylates MIL-47 and MIL-53 containing guest molecules of benzenecarboxylic acid |
| Authors of publication | Wang, Xiqu; Jacobson, Allan J. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2016 |
| Journal volume | 236 |
| Pages of publication | 230 - 235 |
| a | 23.903 ± 0.002 Å |
| b | 17.1907 ± 0.0015 Å |
| c | 25.722 ± 0.002 Å |
| α | 90° |
| β | 105.914 ± 0.0008° |
| γ | 90° |
| Cell volume | 10164.3 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1481 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263985 (current) | 2021-04-08 | cif/ Adding structures of 1561580, 1561581, 1561582 via cif-deposit CGI script. |
1561582.cif |
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Users of the data should acknowledge the original authors of the
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