Information card for entry 7131914

Structure parameters

• Formula: C61 H70 B Cu N P
• Calculated formula: C61 H70 B Cu N P
• Title of publication: Coinage metal complexes of BN analogues of m-terphenyl ligands
• Authors of publication: Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.5213 ± 0.0001 Å
• b: 11.6302 ± 0.0001 Å
• c: 29.0122 ± 0.0002 Å
• α: 90°
• β: 104.069 ± 0.001°
• γ: 90°
• Cell volume: 5080.07 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No