Information card for entry 4071631

Structure parameters

• Chemical name: 1-(trimethylsilylphenyl)-2,3,4,5-tetraphenyl borole dianion
• Formula: C61 H81 B K2 N2 O4.5 Si
• Calculated formula: C61 H81 B K2 N2 O4.5 Si
• Title of publication: Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions
• Authors of publication: So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3496
• a: 14.755 Å
• b: 14.738 Å
• c: 16.506 Å
• α: 80.9°
• β: 65.21°
• γ: 63.44°
• Cell volume: 2912.83 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No