Information card for entry 4345698

Structure parameters

• Formula: C18 H14 Au N
• Calculated formula: C18 H14 Au N
• SMILES: [Au]12(c3ccccc3c3cccc(c4ccccc14)[n]23)C
• Title of publication: Luminescent Cyclometalated Gold(III) Alkyl Complexes: Photophysical and Photochemical Properties.
• Authors of publication: To, Wai-Pong; Tong, Glenna So Ming; Cheung, Chi-Wah; Yang, Chen; Zhou, Dongling; Che, Chi-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5046 - 5059
• a: 8.7257 ± 0.0004 Å
• b: 16.5188 ± 0.0008 Å
• c: 9.5265 ± 0.0004 Å
• α: 90°
• β: 96.676 ± 0.001°
• γ: 90°
• Cell volume: 1363.82 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No