Information card for entry 4132733

Structure parameters

• Formula: C75 H64 B F24 Mo O P2
• Calculated formula: C75 H64 B F24 Mo O P2
• Title of publication: Lewis Acid Enhancement of Proton Induced CO₂ Cleavage: Bond Weakening and Ligand Residence Time Effects.
• Authors of publication: Buss, Joshua A.; VanderVelde, David G.; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 32
• Pages of publication: 10121 - 10125
• a: 13.0216 ± 0.0007 Å
• b: 16.2787 ± 0.0008 Å
• c: 18.3832 ± 0.0009 Å
• α: 111.964 ± 0.002°
• β: 100.228 ± 0.003°
• γ: 92.383 ± 0.003°
• Cell volume: 3531.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0473
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No