Information card for entry 2209588

Structure parameters

• Chemical name: Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) bis(perchlorate) 4-nitropyridine N-oxide monohydrate
• Formula: C29 H29 Cl2 Cu N9 O13
• Calculated formula: C29 H29 Cl2 Cu N9 O13
• Title of publication: Aqua[tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine]copper(II) bis(perchlorate) 4-nitropyridine <i>N</i>-oxide monohydrate
• Authors of publication: Hui-Lu Wu; Wen-Kui Dong; Ying Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1708 - m1710
• a: 11.986 ± 0.003 Å
• b: 24.134 ± 0.006 Å
• c: 14.226 ± 0.003 Å
• α: 90°
• β: 114.913 ± 0.001°
• γ: 90°
• Cell volume: 3732.2 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes