Information card for entry 4063751

Structure parameters

• Formula: C23 H36 Mo N2 O
• Calculated formula: C23 H36 Mo N2 O
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Mo]12345([CH2]=[CH]1CCC(C)(C)C)(N=O)[n]1ccccc1)C)C)C)C
• 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: 17.536 ± 0.004 Å
• b: 14.112 ± 0.003 Å
• c: 18.461 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4568.5 ± 1.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No