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Information card for entry 1561438
Preview
| Coordinates | 1561438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N4 O4 S Zn |
|---|---|
| Calculated formula | C16 H22 N4 O4 S Zn |
| Title of publication | Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains |
| Authors of publication | He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2016 |
| Journal volume | 239 |
| Pages of publication | 113 - 120 |
| a | 8.1609 ± 0.0007 Å |
| b | 19.9271 ± 0.0018 Å |
| c | 12.3036 ± 0.0011 Å |
| α | 90° |
| β | 103.775 ± 0.002° |
| γ | 90° |
| Cell volume | 1943.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1139 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263531 (current) | 2021-04-01 | cif/ Adding structures of 1561436, 1561437, 1561438, 1561439 via cif-deposit CGI script. |
1561438.cif |
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