Information card for entry 7020650

Structure parameters

• Formula: C37 H26 B Cl15 N2 O3.5
• Calculated formula: C37 H34 B Cl15 N2 O3
• 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: 13.427 ± 0.003 Å
• b: 13.49 ± 0.003 Å
• c: 14.172 ± 0.004 Å
• α: 68.329 ± 0.003°
• β: 67.007 ± 0.003°
• γ: 79.508 ± 0.003°
• Cell volume: 2193.9 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No