Information card for entry 7001019

Structure parameters

• Common name: bis(1,2-di(4-n-butyloxyphenyl)ethane-1,2-dithiolene)gold
• Formula: C44 H52 Au O4 S4
• Calculated formula: C44 H52 Au O4 S4
• Title of publication: Amphiphilic paramagnetic neutral gold dithiolene complexes
• Authors of publication: Perochon, Romain; Piekara-Sady, Lydia; Jurga, Witold; Clérac, Rodolphe; Fourmigué, Marc
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3052 - 3061
• a: 9.3768 ± 0.0005 Å
• b: 13.835 ± 0.0009 Å
• c: 18.822 ± 0.0012 Å
• α: 110.519 ± 0.004°
• β: 96.237 ± 0.004°
• γ: 107.257 ± 0.003°
• Cell volume: 2121.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No