Information card for entry 4105810

Structure parameters

• Chemical name: Sc{BN2Ar2C2H2}(CH2SiMe3)2(THF)
• Formula: C38 H66 B N2 O Sc Si2
• Calculated formula: C38 H66 B N2 O Sc Si2
• Title of publication: Group 3 and Lanthanide Boryl Compounds: Syntheses, Structures, and Bonding Analyses of Sc-B, Y-B, and Lu-B σ-Coordinated NHC Analogues
• Authors of publication: Liban M. A. Saleh; Krishna Hassomal Birjkumar; Andrey V. Protchenko; Andrew D. Schwarz; Simon Aldridge; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3836 - 3839
• a: 11.4076 ± 0.0002 Å
• b: 15.005 ± 0.0002 Å
• c: 12.8787 ± 0.0002 Å
• α: 90°
• β: 102.091 ± 0.002°
• γ: 90°
• Cell volume: 2155.56 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No