Information card for entry 4134440

Structure parameters

• Formula: C36 H47 Au N2 O
• Calculated formula: C36 H47 Au N2 O
• Title of publication: Enhancement of the Luminescent Efficiency in Carbene-Au^(I)-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation.
• Authors of publication: Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6158 - 6172
• a: 10.233 ± 0.003 Å
• b: 17.846 ± 0.004 Å
• c: 17.766 ± 0.004 Å
• α: 90°
• β: 93.463 ± 0.004°
• γ: 90°
• Cell volume: 3238.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No