Information card for entry 4116684

Structure parameters

• Formula: C96 H240 Cd8 Cl16 N16 O76 S16
• Calculated formula: C96 H208 Cd8 Cl13.882 N16 O65.528 S16
• Title of publication: Unprecedented Polycrystal Structure of a New Cadmium Thiolate Containing an Unusually Highly Charged [ClCd8{SCH(CH2CH2)2N(H)Me}16]15+ Core
• Authors of publication: Pilar Gonzàlez-Duarte; William Clegg; Isidre Casals; Joan Sola; Jordi Rius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 1260 - 1266
• a: 30.319 ± 0.002 Å
• b: 24.0998 ± 0.0014 Å
• c: 26.2568 ± 0.0015 Å
• α: 90°
• β: 92.707 ± 0.002°
• γ: 90°
• Cell volume: 19164 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections: 0.3047
• Weighted residual factors for significantly intense reflections: 0.2492
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No