Information card for entry 4504232

Structure parameters

• Formula: C24 H22 Cl2 Cu N6 O2
• Calculated formula: C24 H22 Cl2 Cu N6 O2
• SMILES: c1cc(cc[n]1[Cu]([n]1ccc(cc1)c1[nH]c2ccccc2n1)([OH2])([OH2])(Cl)Cl)c1[nH]c2ccccc2n1
• Title of publication: Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands
• Authors of publication: Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 2481
• a: 7.0234 ± 0.001 Å
• b: 11.5342 ± 0.001 Å
• c: 14.1741 ± 0.001 Å
• α: 90°
• β: 100.793 ± 0.01°
• γ: 90°
• Cell volume: 1127.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No