Information card for entry 2221966

Structure parameters

• Chemical name: Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis(2-benzoylbenzoato- κ<i>O</i>)copper(II)
• Formula: C42 H30 Cu N4 O6
• Calculated formula: C42 H30 Cu N4 O6
• SMILES: C(=O)(c1ccccc1C(=O)c1ccccc1)O[Cu]([n]1c[nH]c2c1cccc2)([n]1c[nH]c2ccccc12)OC(=O)c1ccccc1C(=O)c1ccccc1
• Title of publication: Bis(benzimidazole-κ<i>N</i>^3^)bis(2-benzoylbenzoato-κ<i>O</i>)copper(II)
• Authors of publication: Yıldırım, M. Hakkı; Heren, Zerrin; Paşaoğlu, Hümeyra; Hıra, Derya; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m638 - m639
• a: 10.8692 ± 0.0006 Å
• b: 7.4521 ± 0.0003 Å
• c: 23.0874 ± 0.0015 Å
• α: 90°
• β: 95.111 ± 0.005°
• γ: 90°
• Cell volume: 1862.61 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes