Information card for entry 2207113

Structure parameters

• Formula: C56 H58 Cu3 N12 O20 S2
• Calculated formula: C56 H56 Cu3 N12 O20 S2
• Title of publication: <i>catena</i>-Poly[[hexakis(1<i>H</i>-benzimidazole)bis(μ^2^-5-sulfonatosalicylato)tricopper(II)] octahydrate]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m2080 - m2082
• a: 11.1489 ± 0.0006 Å
• b: 11.9699 ± 0.0006 Å
• c: 12.5693 ± 0.0006 Å
• α: 99.302 ± 0.001°
• β: 93.69 ± 0.001°
• γ: 107.155 ± 0.001°
• Cell volume: 1570.48 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes