Information card for entry 4324009

Structure parameters

• Formula: C17 H18 Br2 Cu N4 O2
• Calculated formula: C17 H18 Br2 Cu N4 O2
• SMILES: [Cu]12(Br)(Br)[n]3c4ccccc4[nH]c3C[O]1Cc1[n]2c2c([nH]1)cccc2.CO
• Title of publication: A Route to Bis(benzimidazole) Ligands with Built-In Asymmetry: Potential Models of Protein Binding Sites Having Histidines of Different Basicity
• Authors of publication: Craig J. Matthews; Troy A. Leese; William Clegg; Mark R. J. Elsegood; Lynne Horsburgh; Joyce C. Lockhart
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 7563 - 7571
• a: 14.325 ± 0.002 Å
• b: 13.919 ± 0.002 Å
• c: 18.837 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755.9 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0817
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No