Information card for entry 1507785

Structure parameters

• Formula: C50 H45 Cl Mo2 O12 P2 Si
• Calculated formula: C50 H45 Cl Mo2 O12 P2 Si
• SMILES: [Mo]1234(=O)(OO1)O[O]2[Mo]12(O[Si](O3)(CCl)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: 13.467 ± 0.003 Å
• b: 13.548 ± 0.003 Å
• c: 15.931 ± 0.003 Å
• α: 76.03 ± 0.02°
• β: 79.39 ± 0.02°
• γ: 61.18 ± 0.02°
• Cell volume: 2463.4 ± 1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0605
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No