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Information card for entry 8105880
Preview
| Coordinates | 8105880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Cd N12 O2 S2 |
|---|---|
| Calculated formula | C34 H34 Cd N12 O2 S2 |
| Title of publication | Crystal structure of dimethanol-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)cadmium(II) C34H34CdN12O2S2 |
| Authors of publication | Ling, Ning; Wang, Xia; Zhang, Ya-Wen; Zhao, Tian-Tian; Ruan, Yuan; Yang, Jing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 881 - 882 |
| a | 9.6872 ± 0.0006 Å |
| b | 10.4523 ± 0.0007 Å |
| c | 10.8422 ± 0.0009 Å |
| α | 113.022 ± 0.007° |
| β | 96.919 ± 0.006° |
| γ | 104.526 ± 0.006° |
| Cell volume | 948.19 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1461 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278211 (current) | 2022-09-27 | cif/ Adding structures of 8105880 via cif-deposit CGI script. |
8105880.cif |
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Users of the data should acknowledge the original authors of the
structural data.