Information card for entry 4089622

Structure parameters

• Formula: C15 H23 Mo N O
• Calculated formula: C15 H23 Mo N O
• Title of publication: Insights into the Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*W(NO)(η3-allyl)(CH2CMe3) Complexes
• Authors of publication: Lefèvre, Guillaume P.; Baillie, Rhett A.; Fabulyak, Diana; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5561
• a: 9.6315 ± 0.0012 Å
• b: 12.1481 ± 0.0014 Å
• c: 12.322 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1441.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No