Information card for entry 4319321

Structure parameters

• Formula: C36 H76 Cl4 Mo3 N24 Ni O32 S4
• Calculated formula: C36 H35 Cl4 Mo3 N24 Ni O32.01 S4
• Title of publication: Supramolecular Assemblies Based on Cucurbituril Adducts of Hydrogen-Bonded Cubane-Type Molybdenum-Nickel Sulfide Aqua Complexes
• Authors of publication: Vladimir P. Fedin; Volker Gramlich; Michael Wörle; Thomas Weber
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1074 - 1077
• a: 20.579 ± 0.003 Å
• b: 14.405 ± 0.002 Å
• c: 24.407 ± 0.004 Å
• α: 90°
• β: 103.35 ± 0.03°
• γ: 90°
• Cell volume: 7040 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2057
• Weighted residual factors for all reflections included in the refinement: 0.2237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No