Information card for entry 7020651

Structure parameters

• Formula: C28 H28 B Cl15 F N3 O S
• Calculated formula: C28.02 H28.056 B0.9999 Cl15 F0.9999 N3.006 O1.002 S1.002
• Title of publication: Lewis acidic behavior of B(C6Cl5)3.
• Authors of publication: Zhao, Haiyan; Reibenspies, Joseph H.; Gabbaï, François P
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 608 - 610
• a: 13.7551 ± 0.001 Å
• b: 13.7551 ± 0.001 Å
• c: 25.562 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4188.4 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No