Information card for entry 7114220

Structure parameters

• Formula: C106 H136 Hg4 O12 S12
• Calculated formula: C106 H136 Hg4 O12 S12
• Title of publication: Koilands from thiophiles: mercury(ii) clusters from thiacalixarenes
• Authors of publication: Akdas, Huriey; Graf, Ernest; Hosseini, Mir Wais; De Cian, André; Bilyk, Alex; Skelton, Brian W.; Koutsantonis, George A.; Murray, Ian; Harrowfield, Jack M.; White, Allan H.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1042
• a: 17.764 ± 0.001 Å
• b: 21.016 ± 0.002 Å
• c: 14.929 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5573.4 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections: 1.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.436
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No