Information card for entry 4131174

Structure parameters

• Formula: C42 H68 Mo O2 P2 Si2
• Calculated formula: C42 H68 Mo O2 P2 Si2
• Title of publication: Mechanism of Molybdenum-Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation.
• Authors of publication: Buss, Joshua A.; Agapie, Theodor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16466 - 16477
• a: 12.8387 ± 0.0008 Å
• b: 13.2552 ± 0.0008 Å
• c: 14.3715 ± 0.0008 Å
• α: 76.202 ± 0.002°
• β: 75.565 ± 0.002°
• γ: 72.413 ± 0.002°
• Cell volume: 2222.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No