Information card for entry 4089025

Structure parameters

• Formula: C50 H73 F3 Mo N2 O6 S
• Calculated formula: C50 H73 F3 Mo N2 O6 S
• Title of publication: Molybdenum and Tungsten Alkylidene Complexes That Contain a 2-Pyridyl-Substituted Phenoxide Ligand
• Authors of publication: Sues, Peter E.; John, Jeremy M.; Bukhryakov, Konstantin V.; Schrock, Richard R.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3587
• a: 11.0888 ± 0.001 Å
• b: 14.4032 ± 0.0013 Å
• c: 16.6215 ± 0.0015 Å
• α: 80.3137 ± 0.0018°
• β: 84.3917 ± 0.0019°
• γ: 88.979 ± 0.002°
• Cell volume: 2604.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0588
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No