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Information card for entry 7229262
Preview
| Coordinates | 7229262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4.74 H6.84 Cu2 N8 S2 |
|---|---|
| Calculated formula | C4.728 H6.82 Cu2 N8 S2 |
| Title of publication | Four CuI(ett) Coordination polymorphs and Changes in XRD Upon Hydrothermal Condition Optimization |
| Authors of publication | Tao, Ye; Li, You; Pang, Xuhong; Li, Haiye; Huang, Fu-Ping; Qin, Huangfei; Bian, He-Dong |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.5028 ± 0.0003 Å |
| b | 10.7121 ± 0.0004 Å |
| c | 11.9937 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1220.9 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0927 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.2005 |
| Weighted residual factors for all reflections included in the refinement | 0.2028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201540 (current) | 2017-09-30 | cif/ Adding structures of 7229259, 7229260, 7229261, 7229262 via cif-deposit CGI script. |
7229262.cif |
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Users of the data should acknowledge the original authors of the
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