Information card for entry 7045750

Structure parameters

• Formula: C31 H18 Cu N4 O3
• Calculated formula: C31 H18 Cu N4 O3
• Title of publication: Metal complexes of a novel heterocyclic benzimidazole ligand formed by rearrangement-cyclization of the corresponding Schiff base. Electrosynthesis, structural characterization and antimicrobial activity.
• Authors of publication: Casanova, I.; Durán, M L; Viqueira, J.; Sousa-Pedrares, A; Zani, F.; Real, J. A.; García-Vázquez, J A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4325 - 4340
• a: 13.703 ± 0.003 Å
• b: 9.786 ± 0.002 Å
• c: 20.08 ± 0.004 Å
• α: 90°
• β: 107.637 ± 0.004°
• γ: 90°
• Cell volume: 2566.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0809
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No