Information card for entry 4063750

Structure parameters

• Formula: C18 H31 Mo N O
• Calculated formula: C18 H31 Mo N O
• SMILES: C(C(C)(C)C)[Mo]123456([CH2]=[CH]1C2)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)N=O
• Title of publication: Differing Reactions of Functionalized Hydrocarbons with Cp*M(NO)(alkyl)(η3-allyl) Complexes of Molybdenum and Tungsten
• Authors of publication: Tran, Tommy; Chow, Catherine; Zimmerman, Amanda C.; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 738
• a: 10.6073 ± 0.0012 Å
• b: 11.4737 ± 0.0011 Å
• c: 15.0284 ± 0.0017 Å
• α: 90°
• β: 96.675 ± 0.006°
• γ: 90°
• Cell volume: 1816.6 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No