Information card for entry 1507784

Structure parameters

• Formula: C56 H58 Mo2 O12 P2 Si
• Calculated formula: C56 H58 Mo2 O12 P2 Si
• SMILES: [Mo]1234(=O)(OO1)O[O]2[Mo]12(O[Si](O3)(CC(C)C)CC(C)C)([O]4O1)(OO2)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues
• Authors of publication: Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4786 - 4792
• a: 10.646 ± 0.003 Å
• b: 11.086 ± 0.002 Å
• c: 24.237 ± 0.007 Å
• α: 100.81 ± 0.02°
• β: 96.56 ± 0.02°
• γ: 101.36 ± 0.02°
• Cell volume: 2720.5 ± 1.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No