Information card for entry 4077359

Structure parameters

• Common name: DW3
• Formula: C38 H35 B F20 O3 Zn
• Calculated formula: C38 H35 B F20 O3 Zn
• SMILES: [Zn](CC)([O](CC)CC)([O](CC)CC)[O](CC)CC.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Reactions of Zinc Dialkyls with (Perfluorophenyl)boron Compounds: Alkylzinc Cation Formation vs C6F5Transfer
• Authors of publication: Walker, Dennis A.; Woodman, Timothy J.; Hughes, David L.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 17
• Pages of publication: 3772
• a: 14.824 ± 0.001 Å
• b: 15.947 ± 0.001 Å
• c: 18.037 ± 0.001 Å
• α: 90°
• β: 108.25 ± 0.01°
• γ: 90°
• Cell volume: 4049.4 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No