Information card for entry 4132734

Structure parameters

• Formula: C130 H109 B2 Cl F48 Mo2 N2 P4
• Calculated formula: C130 H109 B2 Cl F48 Mo2 N2 P4
• 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: 13.0558 ± 0.0008 Å
• b: 16.4548 ± 0.001 Å
• c: 16.505 ± 0.001 Å
• α: 65.959 ± 0.002°
• β: 81.517 ± 0.002°
• γ: 78.563 ± 0.002°
• Cell volume: 3165.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No