Information card for entry 2218706

Structure parameters

• Chemical name: Bis(2-benzamidobenzimidazolato-κ^2^N^1^,O)(N,N-dimethylformamide-κO)copper(II)
• Formula: C31 H27 Cu N7 O3
• Calculated formula: C31 H27 Cu N7 O3
• SMILES: [Cu]12([O]=C(Nc3nc4ccccc4n13)c1ccccc1)([O]=C(Nc1n2c2ccccc2n1)c1ccccc1)[O]=CN(C)C
• Title of publication: Bis(2-benzamidobenzimidazolato-κ^2^<i>N</i>^1^,<i>O</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)
• Authors of publication: Thiam, Elhadj Ibrahima; Tamboura, Farba; Gaye, Mohamed; Sall, Abdou Salam; Barry, Aliou Hamady
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m876
• a: 9.8798 ± 0.0002 Å
• b: 23.3089 ± 0.0009 Å
• c: 12.0765 ± 0.0004 Å
• α: 90°
• β: 106.427 ± 0.002°
• γ: 90°
• Cell volume: 2667.54 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes