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Information card for entry 7211988
Preview
| Coordinates | 7211988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H10 O7 |
|---|---|
| Calculated formula | C15 H10 O7 |
| SMILES | C(=O)(c1c(C(=O)O)cccc1Oc1c(C(=O)O)cccc1)O |
| Title of publication | Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties |
| Authors of publication | Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 1096 |
| a | 25.342 ± 0.016 Å |
| b | 8.645 ± 0.005 Å |
| c | 14.204 ± 0.011 Å |
| α | 90° |
| β | 120.412 ± 0.019° |
| γ | 90° |
| Cell volume | 2684 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1347 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for significantly intense reflections | 0.2792 |
| Weighted residual factors for all reflections included in the refinement | 0.3021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211988.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7211988.cif |
| 92522 | 2014-01-12 | cif/ Adding structures of 7211985, 7211986, 7211987, 7211988 via cif-deposit CGI script. |
7211988.cif |
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Users of the data should acknowledge the original authors of the
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