Information card for entry 4309757

Structure parameters

• Formula: C21 H34 B Cl Mo N6 O2 P
• Calculated formula: C21 H34 B Cl Mo N6 O2 P
• Title of publication: Oxygen Atom Transfer Reactivity from a Dioxo-Mo(VI) Complex to Tertiary Phosphines: Synthesis, Characterization, and Structure of Phosphoryl Intermediate Complexes
• Authors of publication: Victor N. Nemykin; Partha Basu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7494 - 7502
• a: 13.099 ± 0.008 Å
• b: 27.192 ± 0.016 Å
• c: 8.263 ± 0.006 Å
• α: 90 ± 0°
• β: 98.5 ± 0.06°
• γ: 90 ± 0°
• Cell volume: 2911 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• 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: 0.2005
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections: 0.358
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No