Information card for entry 7214305

Structure parameters

• Formula: C40 H86 Mo N2 O10
• Calculated formula: C40 H86 Mo N2 O10
• SMILES: C[N+](C)(C)CCCCCCCCCCCCCCCC.C[N+](C)(C)CCCCCCCCCCCCCCCC.C1(=O)C(=O)O[Mo]23(O1)(OO2)(=O)OO3.O
• Title of publication: A molybdenum based metallomicellar catalyst for controlled and selective sulfoxidation reactions in aqueous medium
• Authors of publication: Chakravarthy, Rajan Deepan; Ramkumar, Venkatachalam; Chand, Dillip Kumar
• Journal of publication: Green Chemistry
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 2190
• a: 9.7003 ± 0.0003 Å
• b: 10.0807 ± 0.0004 Å
• c: 26.1807 ± 0.001 Å
• α: 88.397 ± 0.002°
• β: 82.073 ± 0.001°
• γ: 69.855 ± 0.001°
• Cell volume: 2379.99 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No