Information card for entry 4118160

Structure parameters

• Formula: C39 H31 B F15 O Sc
• Calculated formula: C39 H31 B F15 O Sc
• Title of publication: Carbon Monoxide Activation via O-Bound CO Using Decamethylscandocinium-Hydridoborate Ion Pairs
• Authors of publication: Andreas Berkefeld; Warren E. Piers; Masood Parvez; Ludovic Castro; Laurent Maron; Odile Eisenstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10843 - 10851
• a: 10.6944 ± 0.0005 Å
• b: 12.3689 ± 0.0005 Å
• c: 14.744 ± 0.0007 Å
• α: 100.107 ± 0.003°
• β: 99.133 ± 0.002°
• γ: 106.462 ± 0.002°
• Cell volume: 1795.89 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1422
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No