Information card for entry 7124272

Structure parameters

• Formula: C34 H32 Au B2 N5
• Calculated formula: C34 H32 Au B2 N5
• Title of publication: Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile
• Authors of publication: Wang, Baolin; Koshino, Kota; Kinjo, Rei
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.1073 ± 0.0002 Å
• b: 11.2713 ± 0.0002 Å
• c: 21.9583 ± 0.0004 Å
• α: 90°
• β: 98.2737 ± 0.0008°
• γ: 90°
• Cell volume: 2965.35 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No