Information card for entry 4120921

Structure parameters

• Common name: Sad183
• Formula: C36 H26.5 B Br0.5 F18 N O3 S Si2 Zr
• Calculated formula: C36 H26 B Br0.5 F18 N O3 S Si2 Zr
• Title of publication: Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds
• Authors of publication: KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15225 - 15237
• a: 11.677 ± 0.003 Å
• b: 12.731 ± 0.003 Å
• c: 15.822 ± 0.004 Å
• α: 103.64 ± 0.004°
• β: 108.155 ± 0.004°
• γ: 99.126 ± 0.004°
• Cell volume: 2102.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No