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Information card for entry 1550342
Preview
| Coordinates | 1550342.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Timi-Cu |
|---|---|
| Formula | C15.5 H17 Cu N3.5 O5.75 |
| Calculated formula | C15.5 H16.5 Cu N3.5 O5.75 |
| Title of publication | Framework disorder and its effect on selective hysteretic sorption of a T-shaped azole-based metal‒organic framework |
| Authors of publication | Wang, Sujuan; Wei, Zhang-Wen; Zhang, Jianyong; Jiang, Long; Liu, Dingxin; Jiang, Ji-Jun; Si, Rui; Su, Cheng-Yong |
| Journal of publication | IUCrJ |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 1 |
| a | 10.8431 ± 0.0006 Å |
| b | 11.8835 ± 0.0006 Å |
| c | 14.4823 ± 0.0009 Å |
| α | 90° |
| β | 109.361 ± 0.007° |
| γ | 90° |
| Cell volume | 1760.57 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.14 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 | 0.0984 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.2296 |
| Weighted residual factors for all reflections included in the refinement | 0.2447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212515 (current) | 2018-12-11 | cif/ Adding structures of 1550342 via cif-deposit CGI script. |
1550342.cif |
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