Information card for entry 7027976

Structure parameters

• Formula: C25 H24 Au O2 P S4
• Calculated formula: C25 H24 Au O2 P S4
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)SC1=C(SCCS1)SC(=O)OCC
• Title of publication: Formation of thiolene versus dithiolene species from TTBEO. Crystal structures of [Au(ddtCO2Et)(PPh3)] and [Sn(ddtCO2Et)2Me2] {TTBEO = 2,5,7,9-tetrathiabicyclo[4.3.0]non-1(6)-en-8-one; ddtCO2Et = 3-(ethoxycarbonylsulfanyl)-5,6-dihydro-1,4-dithiine-2-thiolate}
• Authors of publication: Cerrada, Elena; García, J. Felipe; Laguna, Mariano; Terroba, Raquel; Villacampa, M. Dolores
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3511
• a: 9.202 ± 0.005 Å
• b: 11.495 ± 0.006 Å
• c: 13.921 ± 0.007 Å
• α: 70.85 ± 0.04°
• β: 87.05 ± 0.04°
• γ: 74.24 ± 0.02°
• Cell volume: 1337.6 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.0789
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No