Information card for entry 2230006

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>- benzimidazol-1-yl)-1,1':4',1''-terphenyl]
• Formula: C32 H22 Cu N6 O6
• Calculated formula: C32 H22 Cu N6 O6
• SMILES: [Cu]12(ON(=O)=[O]1)(ON(=O)=[O]2)([n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1cnc2c1cccc2)[n]1cn(c2c1cccc2)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)n1c[n](c2ccccc12)[Cu]12(ON(=O)=[O]1)ON(=O)=[O]2
• Title of publication: <i>catena</i>-Poly[[dinitratocopper(II)]-μ-4,4''-bis(1<i>H</i>-benzimidazol-1-yl)-1,1':4',1''-terphenyl]
• Authors of publication: Jiang, Hong-Shi; Li, Hui; Wang, Jian; Ma, Hui-Xuan; Zhang, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m603
• a: 14.96 ± 0.003 Å
• b: 15.237 ± 0.003 Å
• c: 12.139 ± 0.002 Å
• α: 90°
• β: 103.94 ± 0.03°
• γ: 90°
• Cell volume: 2685.5 ± 0.9 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: 0.047
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes