Information card for entry 2235285

Structure parameters

• Chemical name: Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole- κ<i>N</i>^3^}dichloridocadmium hexahydrate
• Formula: C22 H36 Cd Cl2 N8 O8
• Calculated formula: C22 H36 Cd Cl2 N8 O8
• SMILES: c1[n](ccn1Cc1[nH]c2c(n1)cccc2)[Cd]([OH2])([OH2])(Cl)([n]1cn(cc1)Cc1[nH]c2c(cccc2)n1)Cl.O.O.O.O.O.O
• Title of publication: Diaquabis{1-[(1<i>H</i>-benzimidazol-2-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}dichloridocadmium hexahydrate
• Authors of publication: Xie, Xin-Nian; Lu, Meng; Yuan, Juan; Yang, Huai-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m754
• a: 8.3562 ± 0.0017 Å
• b: 10.236 ± 0.002 Å
• c: 17.972 ± 0.004 Å
• α: 90°
• β: 98.8 ± 0.03°
• γ: 90°
• Cell volume: 1519.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes