Information card for entry 7223746

Structure parameters

• Formula: C18 H20 Cd2 Cl4 N16 O2
• Calculated formula: C18 H20 Cd2 Cl4 N16 O2
• SMILES: c1(n[nH]cn1)[N]1=NN(c2[nH]c3c(cccc3)[nH+]2)[Cd]21([OH2])([Cl][Cd]1([N](c3n[nH]cn3)=NN1c1[nH]c3c(cccc3)[nH+]1)([OH2])([Cl]2)Cl)Cl
• 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: 8.3541 ± 0.0004 Å
• b: 17.9999 ± 0.0009 Å
• c: 10.0103 ± 0.0005 Å
• α: 90°
• β: 111.893 ± 0.002°
• γ: 90°
• Cell volume: 1396.72 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No