Information card for entry 4306839

Structure parameters

• Common name: Tp*MoS(2-propylphenolate)2
• Chemical name: {hydrotris(3,5-dimethylpyrazol-1-yl)borato}bis{2-propylphenolato}sulfidomolybdenum(V)
• Formula: C33 H44 B Mo N6 O2 S
• Calculated formula: C33 H44 B Mo N6 O2 S
• Title of publication: Synthesis, Structural Characterization, and Multifrequency Electron Paramagnetic Resonance Studies of Mononuclear Thiomolybdenyl Complexes
• Authors of publication: Simon C. Drew; Jason P. Hill; Ian Lane; Graeme R. Hanson; Robert W. Gable; Charles G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2373 - 2387
• a: 14.0547 ± 0.0012 Å
• b: 10.085 ± 0.002 Å
• c: 24.747 ± 0.004 Å
• α: 90°
• β: 90.183 ± 0.009°
• γ: 90°
• Cell volume: 3507.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No