Information card for entry 4336746

Structure parameters

• Common name: Mo(kappa1-C-CNArMes(eta6-Mes))(CNArMes2)2
• Formula: C86 H92 F Mo N3
• Calculated formula: C81 H80 F Mo N3
• Title of publication: Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives
• Authors of publication: Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13216 - 13229
• a: 12.409 ± 0.002 Å
• b: 14.486 ± 0.003 Å
• c: 20.3 ± 0.003 Å
• α: 78.447 ± 0.006°
• β: 82.824 ± 0.006°
• γ: 72.219 ± 0.004°
• Cell volume: 3396.4 ± 1 ų
• Cell temperature: 100 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: 0.0434
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes