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Information card for entry 7223544
Preview
| Coordinates | 7223544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H36 N4 O13 Zn |
|---|---|
| Calculated formula | C54 H36 N4 O13 Zn |
| SMILES | [Zn]123([O]=C(O1)c1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)O)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.OC(=O)c1cc(ccc1c1ccc(cc1)C(=O)O)C(=O)[O-].O |
| Title of publication | Exploring biphenyl-2,4,4′-tricarboxylic acid as a flexible building block for the hydrothermal self-assembly of diverse metal–organic and supramolecular networks |
| Authors of publication | Shao, Yong-Liang; Cui, Yan-Hui; Gu, Jin-Zhong; Wu, Jiang; Wang, Ya-Wen; Kirillov, Alexander M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 5 |
| Pages of publication | 765 |
| a | 11.8801 ± 0.0011 Å |
| b | 13.7323 ± 0.0017 Å |
| c | 13.9872 ± 0.0019 Å |
| α | 84.567 ± 0.011° |
| β | 79.104 ± 0.009° |
| γ | 79.225 ± 0.009° |
| Cell volume | 2197.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1717 |
| Residual factor for significantly intense reflections | 0.077 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7223544.cif |
| 175971 | 2016-02-05 | cif/ Updating files of 7223544, 7223545, 7223546, 7223547, 7223548, 7223549, 7223550, 7223551, 7223552 Original log message: Adding full bibliography for 7223544--7223552.cif. |
7223544.cif |
| 171615 | 2015-12-19 | cif/ Adding structures of 7223544, 7223545, 7223546, 7223547, 7223548, 7223549, 7223550, 7223551, 7223552 via cif-deposit CGI script. |
7223544.cif |
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Users of the data should acknowledge the original authors of the
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