Information card for entry 2243996

Structure parameters

• Chemical name: Tetrakis(μ-4-trifluoromethylbenzoato-κ^2^<i>O</i>:<i>O</i>')dimolybdenum(II) 0.762-pentane 0.238-tetrahydrofuran solvate
• Formula: C44.76 H43.05 F12 Mo2 O10.24
• Calculated formula: C44.762 H43.048 F12 Mo2 O10.238
• Title of publication: Crystal structure of a trifluoromethyl benzoato quadruple-bonded dimolybdenum complex
• Authors of publication: Aigeldinger, Elisabeth; Brandao, Lilliana; Powell, Troy; Hartnett, Alaina C.; Sun, Rui; Dogutan, Dilek K.; Zheng, Shao-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 2
• a: 7.7687 ± 0.0017 Å
• b: 12.099 ± 0.005 Å
• c: 12.572 ± 0.002 Å
• α: 85.843 ± 0.013°
• β: 81.208 ± 0.008°
• γ: 83.107 ± 0.016°
• Cell volume: 1157.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes