Information card for entry 4503633

Structure parameters

• Common name: Cu2[C12H8N2]4[C24H12S8O16][H2O]10.53
• Formula: C72 H65.06 Cu2 N8 O26.53 S8
• Calculated formula: C72 H44 Cu2 N8 O26.53 S8
• Title of publication: Assembly of Supramolecular Compounds with Water-Soluble Calix[4]arenes
• Authors of publication: Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3630
• a: 14.1565 ± 0.0013 Å
• b: 15.063 ± 0.0014 Å
• c: 18.9632 ± 0.0017 Å
• α: 100.907 ± 0.002°
• β: 95.045 ± 0.002°
• γ: 109.35 ± 0.002°
• Cell volume: 3696.5 ± 0.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No