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Information card for entry 7230952
Preview
| Coordinates | 7230952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H22 Cu2 O10 |
|---|---|
| Calculated formula | C42 H22 Cu2 O10 |
| Title of publication | Two interpenetrated metal‒organic frameworks with a slim ethynyl-based ligand: designed for selective gas adsorption and structural tuning |
| Authors of publication | Kong, Xiang-Jing; Zhang, Yong-Zheng; He, Tao; Wu, Xue-Qian; Xu, Ming-Ming; Wang, Si-Nan; Xie, Lin-Hua; Li, Jian-Rong |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 39 |
| Pages of publication | 6018 |
| a | 42.7196 ± 0.0015 Å |
| b | 23.6272 ± 0.0018 Å |
| c | 21.5936 ± 0.0009 Å |
| α | 90° |
| β | 120.317 ± 0.004° |
| γ | 90° |
| Cell volume | 18814.8 ± 1.9 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1478 |
| Residual factor for significantly intense reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.2629 |
| Weighted residual factors for all reflections included in the refinement | 0.2937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228976 (current) | 2019-11-17 | cif/ Updating files of 7230951, 7230952 Original log message: Adding full bibliography for 7230951--7230952.cif. |
7230952.cif |
| 208546 | 2018-06-20 | cif/ Adding structures of 7230951, 7230952 via cif-deposit CGI script. |
7230952.cif |
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Users of the data should acknowledge the original authors of the
structural data.