Information card for entry 4509771

Structure parameters

• Common name: [Cu(C12H8N2)(C3N2H4)2]2 [Cu(C12H8N2)(C3N2H4)(H2O)2]2 [C42H28S6O24] [H2O]13.25
• Formula: C108 H118.5 Cu4 N20 O41.25 S6
• Calculated formula: C108 H112 Cu4 N20 O41.244 S6
• Title of publication: Assembly of Seven Supramolecular Compounds withp-Sulfonatocalix[6]arene
• Authors of publication: Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Xiaofei; Zhang, Hongjie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5311
• a: 12.8498 ± 0.0005 Å
• b: 13.3198 ± 0.0005 Å
• c: 17.2996 ± 0.0007 Å
• α: 82.762 ± 0.001°
• β: 82.39 ± 0.001°
• γ: 84.626 ± 0.001°
• Cell volume: 2902.5 ± 0.2 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No