Information card for entry 4133877

Structure parameters

• Formula: C53 H55 Au N2
• Calculated formula: C53 H55 Au N2
• SMILES: [Au]123c4c(c5[n]1c1c(c(c6ccc(C(C)(C)C)cc6)c5)CCc5c1c2c(n1c2ccc(cc2c2c1c3cc(c2)C(C)(C)C)C(C)(C)C)cc5)ccc(c4)C(C)(C)C
• Title of publication: Isomeric Tetradentate Ligand-Containing Cyclometalated Gold(III) Complexes
• Authors of publication: Lee, Chin-Ho; Tang, Man-Chung; Kong, Fred Ka-Wai; Cheung, Wai-Lung; Ng, Maggie; Chan, Mei-Yee; Yam, Vivian Wing-Wah
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 15.304 ± 0.003 Å
• b: 13.575 ± 0.003 Å
• c: 20.004 ± 0.004 Å
• α: 90°
• β: 95.89 ± 0.03°
• γ: 90°
• Cell volume: 4133.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.05
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.82653 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No