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Information card for entry 7219773
Preview
| Coordinates | 7219773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H21.5 Cu2 N8 O13.75 S |
|---|---|
| Calculated formula | C4 H21.5 Cu2 N8 O13.75 S |
| Title of publication | Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours |
| Authors of publication | Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 46 |
| Pages of publication | 8843 |
| a | 6.9597 ± 0.0011 Å |
| b | 6.8943 ± 0.0011 Å |
| c | 18.317 ± 0.003 Å |
| α | 90° |
| β | 96.213 ± 0.004° |
| γ | 90° |
| Cell volume | 873.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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