Information card for entry 4071412

Structure parameters

• Common name: Compound 2A
• Formula: C20 H33 Mo N O
• Calculated formula: C20 H33 Mo N O
• SMILES: [Mo]12345(N=O)([c]6([c]4([c]2([c]3([c]16C)C)C)C)C)[C@@H](C(C)(C)C)[C@@H]1CCC[C@H]51
• Title of publication: Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes
• Authors of publication: Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2840
• a: 8.3346 ± 0.0008 Å
• b: 8.4671 ± 0.0008 Å
• c: 14.5068 ± 0.0014 Å
• α: 84.83 ± 0.005°
• β: 85.483 ± 0.005°
• γ: 68.227 ± 0.004°
• Cell volume: 945.7 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No