Information card for entry 4309078

Structure parameters

• Chemical name: cis-{hydrotris(3-isopropyl-pyrazol-1- yl)borato}dioxo(4-phenylphenolato)molybdenum(VI) dichloromethane hemisolvate
• Formula: C30.5 H37 B Cl Mo N6 O3
• Calculated formula: C30.5 H37 B Cl Mo N6 O3
• Title of publication: cis-Dioxomolybdenum(VI) and Oxo(phosphine oxide)molybdenum(IV) Complexes: Steric and Electronic Fine-Tuning of cis-[MoOS]2+ Precursors
• Authors of publication: Christian J. Doonan; Andrew J. Millar; David J. Nielsen; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4506 - 4514
• a: 44.685 ± 0.003 Å
• b: 9.5365 ± 0.0007 Å
• c: 15.4123 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6567.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No