Information card for entry 1550854

Structure parameters

• Formula: C47 H70 B Cl N2
• Calculated formula: C47 H70 B Cl N2
• Title of publication: Synthesis and reduction chemistry of mixed-Lewis-base-stabilised chloroborylenes
• Authors of publication: Arrowsmith, Merle; Schweizer, Julia I.; Heinz, Myron; Härterich, Marcel; Krummenacher, Ivo; Holthausen, Max C.; Braunschweig, Holger
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 19
• Pages of publication: 5095 - 5103
• a: 12.9399 ± 0.0013 Å
• b: 14.8972 ± 0.0014 Å
• c: 21.64 ± 0.002 Å
• α: 90°
• β: 98.624 ± 0.003°
• γ: 90°
• Cell volume: 4124.3 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No