Information card for entry 4306838

Structure parameters

• Common name: Tp*MoO{2-(ethylthio)phenolate}2
• Chemical name: bis{2-(ethylthio)phenolato}{hydrotris(3,5-dimethylpyrazol-1-yl)borato}oxomolybdenum(V)
• Formula: C31 H40 B Mo N6 O3 S2
• Calculated formula: C31 H40 B Mo N6 O3 S2
• 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: 10.8664 ± 0.0015 Å
• b: 11.4769 ± 0.0015 Å
• c: 15.069 ± 0.002 Å
• α: 102.347 ± 0.01°
• β: 96.032 ± 0.01°
• γ: 110.426 ± 0.01°
• Cell volume: 1686.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.075
• 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: Yes
• Has Fobs: No