Information card for entry 7132123

Structure parameters

• Formula: C32 H43 Au B10 N2 O2
• Calculated formula: C32 H43 Au B10 N2 O2
• Title of publication: Highly phosphorescent Carbene-Metal-Carboranyl complexes of Copper(I) and Gold(I)
• Authors of publication: Powley, Samuel L.; Riley, Charlotte; Cho, Hwan-Hee; Phuoc, Nguyen Le; Greenham, N. C.; Linnolahti, Mikko; Romanov, Alexander S.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 10.537 ± 0.0001 Å
• b: 18.0731 ± 0.0002 Å
• c: 20.1419 ± 0.0002 Å
• α: 90°
• β: 95.861 ± 0.001°
• γ: 90°
• Cell volume: 3815.7 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No