Information card for entry 7223745

Structure parameters

• Formula: C10 H9 Cu N9 O S
• Calculated formula: C10 H9 Cu N9 O S
• SMILES: [Cu]12([n]3c4c([nH]c3N=N1=Nc1[n]2c[nH]n1)cccc4)N=C=S.O
• Title of publication: Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand
• Authors of publication: Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.061 ± 0.003 Å
• b: 19.716 ± 0.008 Å
• c: 10.302 ± 0.004 Å
• α: 90°
• β: 106.146 ± 0.015°
• γ: 90°
• Cell volume: 1377.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0667
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No