Information card for entry 1550858

Structure parameters

• Formula: C21 H34 B Cl2 K N S0.5
• Calculated formula: C21 H34 B Cl2 K N S0.5
• 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: 22.7921 ± 0.0016 Å
• b: 17.8985 ± 0.0011 Å
• c: 14.2655 ± 0.0011 Å
• α: 90°
• β: 105.321 ± 0.002°
• γ: 90°
• Cell volume: 5612.7 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No