Information card for entry 2231883

Structure parameters

• Chemical name: Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]- 1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))
• Formula: C52 H44 Cl6 Cu4 N12 O
• Calculated formula: C52 H44 Cl6 Cu4 N12 O
• SMILES: c1n(c2c(cccc2)[n]1[Cu]123[O]45[Cu]6([Cl]1)([n]1cn(c7c1cccc7)Cc1ncccc1)[Cl][Cu]4([n]4cn(c1c4cccc1)Cc1ncccc1)([Cl]3)[Cl][Cu]5([n]1cn(c3c1cccc3)Cc1ncccc1)([Cl]2)[Cl]6)Cc1ncccc1
• Title of publication: Hexa-μ-chlorido-μ~4~-oxido-tetrakis({1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}copper(II))
• Authors of publication: Li, Hui; Jiang, Hongshi; Sun, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1372
• a: 13.8532 ± 0.0012 Å
• b: 13.8532 ± 0.0012 Å
• c: 14.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2784.1 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes