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Information card for entry 7215296
Preview
| Coordinates | 7215296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-(1-Methyl-imidaozol-1-yl)benzoic Acid |
|---|---|
| Formula | C11 H13 Cl N2 O3 |
| Calculated formula | C11 H11 Cl N2 O3 |
| SMILES | C(=O)(c1ccc(cc1)[n+]1cc[nH]c1C)O.[Cl-].O |
| Title of publication | Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid |
| Authors of publication | Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 3432 |
| a | 14.465 ± 0.008 Å |
| b | 7.83 ± 0.004 Å |
| c | 11.406 ± 0.006 Å |
| α | 90° |
| β | 111.139 ± 0.006° |
| γ | 90° |
| Cell volume | 1204.9 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0927 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180483 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/52. |
7215296.cif |
| 111909 | 2014-04-28 | cif/ Adding structures of 7215295, 7215296, 7215297, 7215298, 7215299, 7215300, 7215301, 7215302 via cif-deposit CGI script. |
7215296.cif |
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Users of the data should acknowledge the original authors of the
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