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Information card for entry 1562096
Preview
| Coordinates | 1562096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 Cu3 N12 O9.5 |
|---|---|
| Calculated formula | C10 H6 Cu3 N12 O8 |
| Title of publication | Selective adsorption in two porous triazolate‒oxalate-bridged antiferromagnetic metal-azolate frameworks obtained via in situ decarboxylation of 3-amino-1,2,4-triazole-5-carboxylic acid |
| Authors of publication | Hou, Juan-Juan; Xu, Xia; Jiang, Ning; Wu, Ya-Qin; Zhang, Xian-Ming |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2015 |
| Journal volume | 223 |
| Pages of publication | 73 - 78 |
| a | 11.2384 ± 0.0006 Å |
| b | 14.8696 ± 0.0013 Å |
| c | 16.6683 ± 0.0008 Å |
| α | 90° |
| β | 100.852 ± 0.005° |
| γ | 90° |
| Cell volume | 2735.6 ± 0.3 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264533 (current) | 2021-04-26 | cif/ Adding structures of 1562096, 1562097 via cif-deposit CGI script. |
1562096.cif |
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