Information card for entry 4109363

Structure parameters

• Formula: C17 H30 N O P W
• Calculated formula: C17 H30 N O P W
• SMILES: [W]12345([P](C)(C)C)(N=O)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[CH](C=C)=[CH2]5
• Title of publication: Selective Activation and Functionalization of Linear Alkanes Initiated under Ambient Conditions by a Tungsten Allyl Nitrosyl Complex
• Authors of publication: Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter Legzdins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5372 - 5373
• a: 8.1936 ± 0.0004 Å
• b: 15.3514 ± 0.0008 Å
• c: 14.9078 ± 0.0007 Å
• α: 90°
• β: 90.02 ± 0.001°
• γ: 90°
• Cell volume: 1875.15 ± 0.16 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: 0.0284
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No