Information card for entry 2312071

Structure parameters

• Chemical name: Tetrakis(μ-4-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')[bis(tetrahydrofuran-κ<i>O</i>)molybdenum(II)] tetrahydrofuran disolvate
• Formula: C48 H60 Mo2 O12
• Calculated formula: C48 H60 Mo2 O12
• Title of publication: Crystal structure of a methyl benzoate quadruple-bonded dimolybdenum complex.
• Authors of publication: Bass, Lillian Dawson; Lee, Jessie H.; Lilygren, McKenzie C; Hartnett, Alaina C.; Campbell, Brandon M.; Morphet, Daniel R.; Dogutan, Dilek K.; Zheng, Shao-Liang
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 231 - 235
• a: 9.3923 ± 0.0007 Å
• b: 10.6505 ± 0.0008 Å
• c: 12.2955 ± 0.0009 Å
• α: 78.001 ± 0.002°
• β: 74.374 ± 0.002°
• γ: 69.853 ± 0.002°
• Cell volume: 1102.97 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes