Information card for entry 4066243

Structure parameters

• Formula: C60 H90 Mo N2 O
• Calculated formula: C60 H90 Mo N2 O
• Title of publication: Fundamental Studies of Molybdenum and Tungsten Methylidene and Metallacyclobutane Complexes†
• Authors of publication: Schrock, Richard R.; Jiang, Annie J.; Marinescu, Smaranda C.; Simpson, Jeffrey H.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5241
• a: 10.7278 ± 0.0009 Å
• b: 11.9117 ± 0.001 Å
• c: 22.0417 ± 0.0019 Å
• α: 102.155 ± 0.002°
• β: 93.941 ± 0.002°
• γ: 92.896 ± 0.001°
• Cell volume: 2740.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0708
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No