Information card for entry 4319080

Structure parameters

• Formula: C9 H27 O18 S3 Zn1.5
• Calculated formula: C9 H27 O18 S3 Zn1.5
• Title of publication: Intra- and Intermolecular Second-Sphere Coordination Chemistry: Formation of Capsules, Half-Capsules, and Extended Structures with Hexaaquo- and Hexaamminemetal Ions
• Authors of publication: Sean A. Dalrymple; Masood Parvez; George K. H. Shimizu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6986 - 6996
• a: 12.0673 ± 0.0006 Å
• b: 12.0673 ± 0.0006 Å
• c: 9.702 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1223.52 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No