Information card for entry 4320271

Structure parameters

• Common name: none
• Chemical name: Bis(tetra(mu3-thio)(phosporoustrihydroxo)trichlorohexaaquatrimolybdenum palladium) cucurbituril dichloride dodecahydrate
• Formula: C36 H106 Cl8 Mo6 N24 O50 P2 Pd2 S8
• Calculated formula: C36 H36 Cl7.98 Mo6 N24 O49.98 P2 Pd2 S8
• Title of publication: Phosphorous Acid and Arsenious Acid as Ligands
• Authors of publication: Maxim N. Sokolov; Alexander V.Virovets; Danil N. Dybtsev; Elena V. Chubarova; Vladimir P.Fedin; Dieter Fenske
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4816 - 4817
• a: 21.669 ± 0.006 Å
• b: 21.669 ± 0.006 Å
• c: 21.669 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10175 ± 5 ų
• Cell temperature: 212 ± 2 K
• Ambient diffraction temperature: 212 ± 2 K
• Number of distinct elements: 9
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No