Information card for entry 7113370

Structure parameters

• Formula: C31 H26 Mo N O7 P
• Calculated formula: C31 H26 Mo N O7 P
• SMILES: [N]1(=Cc2c(O[Mo]341(OO3)(OO4)=O)cccc2)O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Highly efficient epoxidation method of olefins with hydrogen peroxide as terminal oxidant, bicarbonate as a co-catalyst and oxodiperoxo molybdenum(VI) complex as catalyst.
• Authors of publication: Gharah, Narottam; Chakraborty, Santu; Mukherjee, Alok K.; Bhattacharyya, Ramgopal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 22
• Pages of publication: 2630 - 2632
• a: 9.6369 ± 0.001 Å
• b: 10.6748 ± 0.001 Å
• c: 13.3547 ± 0.001 Å
• α: 97.326 ± 0.01°
• β: 90.017 ± 0.01°
• γ: 91.081 ± 0.01°
• Cell volume: 1362.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0328
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No