Information card for entry 4322987

Structure parameters

• Formula: C52 H90 Ca O7 S2
• Calculated formula: C52 H90 Ca O7 S2
• Title of publication: Syntheses and Structure Determinations of Calcium Thiolates
• Authors of publication: Scott Chadwick; Ulrich Englich; Bruce Noll; Karin Ruhlandt-Senge
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4718 - 4725
• a: 18.0948 ± 0.0004 Å
• b: 16.9408 ± 0.0001 Å
• c: 35.0968 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10758.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1824
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No