Information card for entry 7114219

Structure parameters

• Formula: C183 H207 Cl9 Hg9 O3 S36
• Calculated formula: C182 H198 Cl9 Hg9 O3 S36
• 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: 22.0184 ± 0.0002 Å
• b: 22.0184 ± 0.0002 Å
• c: 51.6679 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21693.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.184
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.587
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 52.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No