Information card for entry 4069623

Structure parameters

• Formula: C27 H42 N2 O Si W
• Calculated formula: C27 H42 N2 O Si W
• SMILES: CC/C=C/C1=[N](c2c(cccc2C)C)[W]23451(C[Si](C)(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)N=O
• Title of publication: Toward Alkane Functionalization Effected with Cp*W(NO)(alkyl)(η3-allyl) Complexes
• Authors of publication: Semproni, Scott P.; Graham, Peter M.; Buschhaus, Miriam S. A.; Patrick, Brian O.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4480
• a: 9.7644 ± 0.0008 Å
• b: 16.7802 ± 0.0014 Å
• c: 17.2285 ± 0.0015 Å
• α: 90°
• β: 91.998 ± 0.004°
• γ: 90°
• Cell volume: 2821.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No