Information card for entry 4067567

Structure parameters

• Formula: C20 H33 N3 O W
• Calculated formula: C22.97 H35.97 N3 Si W
• Title of publication: Ground-State Electronic Asymmetry in Cp*W(NO)(η1-isonitrile)2Complexes
• Authors of publication: Semproni, Scott P.; McNeil, W. Stephen; Baillie, Rhett A.; Patrick, Brian O.; Campana, Charles F.; Legzdins, Peter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 867
• a: 13.4169 ± 0.0009 Å
• b: 14.0093 ± 0.0009 Å
• c: 15.6949 ± 0.0016 Å
• α: 96.891 ± 0.003°
• β: 102.975 ± 0.003°
• γ: 117.591 ± 0.002°
• Cell volume: 2460.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No