Information card for entry 4306840

Structure parameters

• Common name: Tp*MoS(catecholate)
• Chemical name: (catecholato}{hydrotris(3,5-dimethylpyrazol-1-yl)borato}sulfidomolybdenum(V)
• Formula: C21 H26 B Mo N6 O2 S
• Calculated formula: C21.021 B1.001 Mo1.001 N6.006 O2.002 S1.001
• 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: 14.167 ± 0.003 Å
• b: 18.89 ± 0.005 Å
• c: 17.547 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4695.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No