Information card for entry 8102610

Structure parameters

• Formula: C40 H42 Cu N8 O12 S2
• Calculated formula: C40 H42 Cu N8 O12 S2
• Title of publication: Crystal structure of diaquabis(4,4'-pyridine)bis(N-4-acetamidophenylsulfonylglycinato)copper(II), Cu(H2O)2(C10H8N2)2(C10H11N2O5S)2
• Authors of publication: Yong-Wei Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 93
• a: 9.937 ± 0.002 Å
• b: 10.537 ± 0.002 Å
• c: 20.494 ± 0.004 Å
• α: 90°
• β: 98.117 ± 0.003°
• γ: 90°
• Cell volume: 2124.4 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1119
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No