Information card for entry 4301536

Structure parameters

• Chemical name: (diphenyldithiophosphinato){hydrotris(3- isopropylpyrazol-1-yl)borato}oxomolybdenum(IV) dichloromethane solvate
• Formula: C60.5 H77 B2 Cl Mo2 N12 O2 P2 S4
• Calculated formula: C60.5 H77 B2 Cl Mo2 N12 O2 P2 S4
• Title of publication: Synthesis and Characterization of TpiPrMoO(S2PR2) (R = Pri, Ph, OEt, OPri, (-)-Mentholate) and {HB(OMe)(Pripz)2}MoO(S2PPri2), Including Isomers of Known 1,2-Borotropically-Shifted Complexes
• Authors of publication: Charles G. Young; Michael S. Malarek; David J. Evans; Christian J. Doonan; Victor Wee Lin Ng; Jonathan M. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1960 - 1966
• a: 21.2135 ± 0.0015 Å
• b: 15.1996 ± 0.0011 Å
• c: 21.5221 ± 0.0015 Å
• α: 90°
• β: 90.355 ± 0.001°
• γ: 90°
• Cell volume: 6939.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No