Information card for entry 4324010

Structure parameters

• Formula: C19 H22 Br2 Cu N4 O2
• Calculated formula: C19 H22 Br2 Cu N4 O2
• SMILES: [Cu]12([n]3c4cc(c(cc4[nH]c3C[O]1Cc1[n]2c2ccccc2[nH]1)C)C)(Br)Br.OC
• 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: 7.312 ± 0.0011 Å
• b: 9.946 ± 0.0015 Å
• c: 15.189 ± 0.002 Å
• α: 87.476 ± 0.004°
• β: 89.093 ± 0.004°
• γ: 68.673 ± 0.003°
• Cell volume: 1028 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.1084
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No