Information card for entry 4071416

Structure parameters

• Formula: C23 H37 Mo N O
• Calculated formula: C23 H37 Mo N O
• SMILES: [Mo]1234567(N=O)([c]8([c]3([c]5([c]2([c]48C)C)C)C)C)[C]2(=[CH]1C(C)(C)C)[CH]7=[CH]6CCCCC2
• 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: 8.8589 ± 0.001 Å
• b: 17.727 ± 0.002 Å
• c: 27.619 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4337.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No