Information card for entry 4121312

Structure parameters

• Formula: C37 H15 B F16 N3 S3 Zn
• Calculated formula: C37.06 H15.06 B F16 N3 S3 Zn
• Title of publication: Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions
• Authors of publication: Wesley Sattler; Serge Ruccolo; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18714 - 18717
• a: 13.735 ± 0.002 Å
• b: 13.735 ± 0.002 Å
• c: 11.4476 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1870.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.1362
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No