Information card for entry 2220612

Structure parameters

• Chemical name: 4,4'-Bipyridinium bis(perchlorate)‒4-aminobenzoic acid‒4,4'-bipyridine‒water (1/4/2/2)
• Formula: C58 H58 Cl2 N10 O18
• Calculated formula: C58 H58 Cl2 N10 O18
• Title of publication: 4,4'-Bipyridinium bis(perchlorate)‒4-aminobenzoic acid‒4,4'-bipyridine‒water (1/4/2/2)
• Authors of publication: Meng, Qun-Hui; Han, Lu; Hou, Jian-Dong; Luo, Yi-Fan; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o132 - o133
• a: 10.1007 ± 0.0003 Å
• b: 10.1105 ± 0.0004 Å
• c: 16.583 ± 0.0006 Å
• α: 91.487 ± 0.002°
• β: 98.529 ± 0.003°
• γ: 118.5 ± 0.002°
• Cell volume: 1462.68 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes