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Information card for entry 7710748
Preview
| Coordinates | 7710748.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H48 Cu3 N12 O12 |
|---|---|
| Calculated formula | C66 H48 Cu3 N12 O12 |
| Title of publication | Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers |
| Authors of publication | Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 19.0772 ± 0.0006 Å |
| b | 32.4115 ± 0.001 Å |
| c | 19.4415 ± 0.0015 Å |
| α | 90° |
| β | 100.577 ± 0.004° |
| γ | 90° |
| Cell volume | 11816.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.2026 |
| Weighted residual factors for all reflections included in the refinement | 0.2124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276838 (current) | 2022-07-23 | cif/ Adding structures of 7710747, 7710748 via cif-deposit CGI script. |
7710748.cif |
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