Information card for entry 4113803

Structure parameters

• Common name: Cp*Mo(NO)(CH2CMe3)2 (1)
• Chemical name: Molybdenum,bis(2,2-dimethylpropyl)nitrosyl [(5-.eta.)pentamethylcyclopentadienyl]
• Formula: C20 H37 Mo N O
• Calculated formula: C20 H37 Mo N O
• Title of publication: Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum
• Authors of publication: Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7035 - 7048
• a: 8.9121 ± 0.0017 Å
• b: 21.702 ± 0.004 Å
• c: 11.26 ± 0.002 Å
• α: 90°
• β: 105.61 ± 0.003°
• γ: 90°
• Cell volume: 2097.5 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No