Information card for entry 4320689

Structure parameters

• Common name: none
• Chemical name: Bis(heptaaquadichloro-tetrakis(mu3-sulphido)- trimolybdenium)-mercury(0) tetrachloride cucurbituril adduct tetradecahydrate.
• Formula: C36 H92 Cl8 Hg Mo6 N24 O40 S8
• Calculated formula: C36 H36 Cl8.02 Hg Mo6 N24 O39.98 S8
• Title of publication: Preparation, Structure, and Properties of the Corner-Shared Double Cubes [Mo6HgQ8(H2O)18]8+ (Q = S, Se) and Tungsten Analogues
• Authors of publication: Vladimir P. Fedin; Maxim Sokolov; Gert J. Lamprecht; Rita Hernandez-Molina; Mi-Sook Seo; Alexander V. Virovets; William Clegg; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6598 - 6603
• a: 16.775 ± 0.001 Å
• b: 18.298 ± 0.001 Å
• c: 15.268 ± 0.001 Å
• α: 90°
• β: 102.128 ± 0.001°
• γ: 90°
• Cell volume: 4581.9 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No