Information card for entry 2218511

Structure parameters

• Chemical name: Bis(1H-benzimidazole-κN^3^)bis(4-methylbenzoato- κ^2^<i>O</i>,<i>O</i>')copper(II)
• Formula: C30 H26 Cu N4 O4
• Calculated formula: C30 H26 Cu N4 O4
• SMILES: c1[n](c2c(cccc2)[nH]1)[Cu](OC(=O)c1ccc(cc1)C)([n]1c[nH]c2ccccc12)OC(=O)c1ccc(cc1)C
• Title of publication: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Authors of publication: Song, Wen-Dong; Huang, Xiang-Hu; Wang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m764
• a: 7.2623 ± 0.0002 Å
• b: 7.6068 ± 0.0001 Å
• c: 12.9624 ± 0.0002 Å
• α: 99.687 ± 0.002°
• β: 96.39 ± 0.001°
• γ: 104.776 ± 0.003°
• Cell volume: 673.53 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes