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Information card for entry 8104688
Preview
| Coordinates | 8104688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H32 Cu2 N12 O2 S2 |
|---|---|
| Calculated formula | C34 H32 Cu2 N12 O2 S2 |
| Title of publication | Crystal structure of dimethanolato-k2 O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2 |
| Authors of publication | Fang, Xiang; Yang, Jing; Zhang, Ya-Wen; Lv, Xin-Ya; Wang, Xia; Song, Ning |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 713 - 715 |
| a | 7.797 ± 0.0007 Å |
| b | 9.611 ± 0.0009 Å |
| c | 12.7629 ± 0.0012 Å |
| α | 71.544 ± 0.008° |
| β | 79.322 ± 0.008° |
| γ | 83.734 ± 0.008° |
| Cell volume | 890.2 ± 0.15 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 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 | 0.0743 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.1827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273531 (current) | 2022-03-08 | cif/ Adding structures of 8104688 via cif-deposit CGI script. |
8104688.cif |
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Users of the data should acknowledge the original authors of the
structural data.