Information card for entry 4132730

Structure parameters

• Formula: C37 H46 Mo O2 P2
• Calculated formula: C37 H46 Mo O2 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: 8.773 ± 0.003 Å
• b: 11.504 ± 0.003 Å
• c: 16.681 ± 0.005 Å
• α: 93.575 ± 0.01°
• β: 98.963 ± 0.009°
• γ: 103.528 ± 0.01°
• Cell volume: 1608.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1364
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No