Information card for entry 2217054

Structure parameters

• Chemical name: Bis[bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II) dichloride methanol disolvate dihydrate
• Formula: C32 H34 Cl2 Cu N10 O2
• Calculated formula: C32 H34 Cl2 Cu N10 O2
• SMILES: c1cc2c(cc1)[nH]c1CNCc3[nH]c4c(cccc4)[n]3[Cu]3([n]21)[n]1c2c(cccc2)[nH]c1CNCc1[nH]c2ccccc2[n]31.O.[Cl-].O.[Cl-]
• Title of publication: Bis[bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II) dichloride methanol disolvate dihydrate
• Authors of publication: Xia, Xian-you; Zhang, Yong; Qu, Yuan; Chen, Xue-mei; Liu, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m190 - m190
• a: 9.653 ± 0.003 Å
• b: 9.921 ± 0.003 Å
• c: 10.316 ± 0.003 Å
• α: 82.095 ± 0.005°
• β: 88.441 ± 0.005°
• γ: 87.073 ± 0.005°
• Cell volume: 977.1 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes