Information card for entry 1550851

Structure parameters

• Formula: C43.5 H67 B N2
• Calculated formula: C43.5 H67 B 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: 9.1887 ± 0.0011 Å
• b: 11.6671 ± 0.0016 Å
• c: 18.914 ± 0.003 Å
• α: 78.726 ± 0.005°
• β: 77.377 ± 0.004°
• γ: 88.791 ± 0.004°
• Cell volume: 1940 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No