Information card for entry 8102385

Structure parameters

• Chemical name: Bis(μ~2~-4-carboxy-2-sulfonato-benzoato)bis[aqua(2,2'-bipyridyl) -copper(ii)]hexahydrate
• Formula: C36 H40 Cu2 N4 O22 S2
• Calculated formula: C36 H40 Cu2 N4 O22 S2
• Title of publication: Crystal structure of bis(μ2-4-carboxy-2-sulfonatobenzoato)-bis[aqua(2,2'-bipyridyl)copper(II)] hexahydrate, [Cu(H2O)(C10H8N2)(C8H4O7S)]2 · 6H2O
• Authors of publication: Ning Zhao; Jiamin Zhang; Zhaoxun Lian; Yongqing Gu; Tianjun Lou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 73
• a: 9.3906 ± 0.0019 Å
• b: 10.559 ± 0.002 Å
• c: 11.335 ± 0.002 Å
• α: 99.893 ± 0.003°
• β: 100.774 ± 0.003°
• γ: 92.56 ± 0.003°
• Cell volume: 1084.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No