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Information card for entry 7228630
Preview
| Coordinates | 7228630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H48 N4 O25 Zn5 |
|---|---|
| Calculated formula | C58 H48 N4 O25 Zn5 |
| Title of publication | Luminescent sensing and photocatalytic degradation properties of an uncommon (4,5,5)-connected 3D MOF based on 3,5-di(3′, 5′-dicarboxylphenyl)benzoic acid: an experimental and computational study |
| Authors of publication | Liu, Jian-Qiang; Kumar, Abhinav; SINGH, AMITA; Jin, Jun-Cheng; Deng, Fang-Yuan; Wu, Xiren; Luo, Zhidong |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 29.018 ± 0.003 Å |
| b | 15.7877 ± 0.0017 Å |
| c | 19.16 ± 0.002 Å |
| α | 90° |
| β | 107.517 ± 0.001° |
| γ | 90° |
| Cell volume | 8370.7 ± 1.5 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 | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1435 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2316 |
| Weighted residual factors for all reflections included in the refinement | 0.2574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.445 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198445 (current) | 2017-07-05 | cif/ Adding structures of 7228630 via cif-deposit CGI script. |
7228630.cif |
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Users of the data should acknowledge the original authors of the
structural data.