Information card for entry 4325378

Structure parameters

• Chemical name: Bis(phenylethynyl)(4a,10b-dihydrobenzo[h]quinolin-10-yl)gold(III)
• Formula: C29 H18 Au n
• Calculated formula: C29 H18 Au N
• SMILES: [n]12cccc3c1c1c(cc3)cccc1[Au]2(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes
• Authors of publication: Jai Anand Garg; Olivier Blacque; Koushik Venkatesan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5430 - 5441
• a: 17.169 ± 0.0002 Å
• b: 13.304 ± 0.0001 Å
• c: 18.4488 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4214.01 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No