Information card for entry 2229975

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'- bis(benzimidazol-1-yl)biphenyl]
• Formula: C26 H18 Cl2 Cu N4
• Calculated formula: C26 H18 Cl2 Cu N4
• SMILES: [Cu](Cl)(Cl)([n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(n2cnc3ccccc23)cc1)[n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)n1c[n]([Cu](Cl)Cl)c2ccccc12
• Title of publication: <i>catena</i>-Poly[[dichloridocopper(II)]-μ-4,4'-bis(benzimidazol-1-yl)biphenyl]
• Authors of publication: Xiao, Dan-Ni; Pan, Hong-Yan; Yao, Min; Xie, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m521
• a: 12.599 ± 0.004 Å
• b: 15.28 ± 0.004 Å
• c: 11.233 ± 0.003 Å
• α: 90°
• β: 91.936 ± 0.004°
• γ: 90°
• Cell volume: 2161.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0663
• 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