Information card for entry 7109778

Structure parameters

• Formula: C30 H20 Au B F4 N2
• Calculated formula: C30 H20 Au B F4 N2
• SMILES: [Au]12([n]3c(ccc4ccccc34)c3c1cccc3)[n]1c(ccc3ccccc13)c1c2cccc1.[B](F)(F)(F)[F-]
• Title of publication: Bis-cyclometallated gold(III) complexes as efficient catalysts for synthesis of propargylamines and alkylated indoles
• Authors of publication: Hok-Ming Ko; Karen Ka-Yan Kung; Jian-Fang Cui; Man-Kin Wong
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8869
• a: 15.223 ± 0.0003 Å
• b: 7.6173 ± 0.0002 Å
• c: 20.9299 ± 0.0004 Å
• α: 90°
• β: 93.844 ± 0.001°
• γ: 90°
• Cell volume: 2421.53 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No