Information card for entry 4083712

Structure parameters

• Formula: C25 H38 B F4 O6 P Ru
• Calculated formula: C25 H38 B F4 O6 P Ru
• Title of publication: Ruthenium Hydroxycarbenes as Key Intermediates in Cycloisomerization and Decarbonylative Cyclization of Terminal Alkynals
• Authors of publication: Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; González-Rodr\?íguez, Carlos; Oñate, Enrique; Saá, Carlos
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140620141406003
• a: 13.6405 ± 0.0011 Å
• b: 8.6495 ± 0.0007 Å
• c: 24.464 ± 0.002 Å
• α: 90°
• β: 98.134 ± 0.001°
• γ: 90°
• Cell volume: 2857.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1797
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No