Information card for entry 4333122

Structure parameters

• Formula: C29 H32 Cl2 Mo O5 P2
• Calculated formula: C26.75 H22 Cl2 Mo O4.5 P2
• Title of publication: Synthesis and Catalytic Epoxidation Activity with TBHP and H2O2of Dioxo-, Oxoperoxo-, and Oxodiperoxo Molybdenum(VI) and Tungsten(VI) Compounds Containing Monodentate or Bidentate Phosphine Oxide Ligands: Crystal Structures of WCl2(O)2(OPMePh2)2, WCl2(O)(O2)(OPMePh2)2, MoCl2(O)2dppmO2·C4H10O, WCl2(O)2dppmO2, Mo(O)(O2)2dppmO2, and W(O)(O2)2dppmO2
• Authors of publication: Jimtaisong, Ampa; Luck, Rudy L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10391 - 10402
• a: 11.141 ± 0.002 Å
• b: 14.41 ± 0.003 Å
• c: 18.474 ± 0.004 Å
• α: 90°
• β: 92.76 ± 0.02°
• γ: 90°
• Cell volume: 2962.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No