Information card for entry 4079345

Structure parameters

• Formula: C44 H30 O2 W
• Calculated formula: C44 H30 O2 W
• Title of publication: C60-Induced Alkyne Cycloaddition with W(CO)(PhC≡CPh)3
• Authors of publication: Wang, Shu-Jou; Yeh, Wen-Yann
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6491
• a: 12.575 ± 0.003 Å
• b: 15.011 ± 0.004 Å
• c: 18.114 ± 0.004 Å
• α: 101.157 ± 0.004°
• β: 90.189 ± 0.004°
• γ: 103.451 ± 0.003°
• Cell volume: 3258.4 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No