Information card for entry 4302576

Structure parameters

• Formula: C24 H29 B Cl Mo N6 O2 S
• Calculated formula: C24 H29 B Cl Mo N6 O2 S
• Title of publication: Substituent Effect on Oxygen Atom Transfer Reactivity from Oxomolybdenum Centers: Synthesis, Structure, Electrochemistry, and Mechanism
• Authors of publication: Partha Basu; Victor N. Nemykin; Raghvendra S. Sengar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6303 - 6313
• a: 10.378 ± 0.004 Å
• b: 13.601 ± 0.004 Å
• c: 10.352 ± 0.002 Å
• α: 107.346 ± 0.018°
• β: 97.29 ± 0.03°
• γ: 89.52 ± 0.03°
• Cell volume: 1382.8 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2258
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections: 0.2177
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0621
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No