Information card for entry 8105880

Structure parameters

• 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 ų
• 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