Information card for entry 4063747

Structure parameters

• Formula: C18 H30 Cl N O W
• Calculated formula: C18 H30 Cl N O W
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[W]162345([CH](C)=[CH]1C6)(CCCCCl)N=O)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: 14.2503 ± 0.0009 Å
• b: 7.9664 ± 0.0005 Å
• c: 17.0315 ± 0.0011 Å
• α: 90°
• β: 105.432 ± 0.002°
• γ: 90°
• Cell volume: 1863.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No