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Information card for entry 7250206
Preview
| Coordinates | 7250206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H36 O10 S2 |
|---|---|
| Calculated formula | C42 H36 O10 S2 |
| Title of publication | Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand |
| Authors of publication | Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 2830 - 2840 |
| a | 6.8684 ± 0.0002 Å |
| b | 13.8322 ± 0.0004 Å |
| c | 14.4683 ± 0.0005 Å |
| α | 105.538 ± 0.002° |
| β | 95.126 ± 0.002° |
| γ | 101.433 ± 0.002° |
| Cell volume | 1283.2 ± 0.07 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0876 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.2249 |
| Weighted residual factors for all reflections included in the refinement | 0.2456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300731 (current) | 2025-07-06 | cif/ Updating files of 7250204, 7250205, 7250206, 7250207 Original log message: Adding full bibliography for 7250204--7250207.cif. |
7250206.cif |
| 298664 | 2025-04-01 | cif/ Adding structures of 7250204, 7250205, 7250206, 7250207 via cif-deposit CGI script. |
7250206.cif |
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Users of the data should acknowledge the original authors of the
structural data.