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Information card for entry 7229260
Preview
| Coordinates | 7229260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H5 Cu N4 S |
|---|---|
| Calculated formula | C3 H5 Cu N4 S |
| 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 | 8.8733 ± 0.0006 Å |
| b | 6.4879 ± 0.0002 Å |
| c | 10.8539 ± 0.0009 Å |
| α | 90° |
| β | 105.551 ± 0.008° |
| γ | 90° |
| Cell volume | 601.97 ± 0.07 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7229260.cif |
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Users of the data should acknowledge the original authors of the
structural data.