Information card for entry 2236576

Structure parameters

• Chemical name: Dichloridobis{1-[(2-methylbenzimidazol-1-yl- κ<i>N</i>^3^)methyl]benzotriazole}zinc
• Formula: C30 H26 Cl2 N10 Zn
• Calculated formula: C30 H26 Cl2 N10 Zn
• SMILES: c12n(c(C)[n]([Zn]([n]3c4ccccc4n(c3C)Cn3nnc4c3cccc4)(Cl)Cl)c1cccc2)Cn1nnc2c1cccc2
• Title of publication: Dichloridobis{1-[(2-methylbenzimidazol-1-yl-κ<i>N</i>^3^)methyl]benzotriazole}zinc
• Authors of publication: Song, Lianqing; Zhao, Meihong; Cui, Guoshi; Gao, Jianghua; Lin, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1179
• a: 15.721 ± 0.004 Å
• b: 12.617 ± 0.004 Å
• c: 14.728 ± 0.003 Å
• α: 90°
• β: 99.13 ± 0.03°
• γ: 90°
• Cell volume: 2884.3 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes