Information card for entry 4086161

Structure parameters

• Formula: C15 H25 N O W
• Calculated formula: C15 H24 N O W
• SMILES: [W]123456(N=O)([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)C[CH]5=[CH]6CC
• Title of publication: Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes
• Authors of publication: Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3428
• a: 10.181 ± 0.002 Å
• b: 8.1358 ± 0.0018 Å
• c: 18.596 ± 0.004 Å
• α: 90°
• β: 99.748 ± 0.005°
• γ: 90°
• Cell volume: 1518.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No