Information card for entry 7027977

Structure parameters

• Formula: C16 H24 O4 S8 Sn
• Calculated formula: C16 H24 O4 S8 Sn
• SMILES: [Sn](SC1=C(SCCS1)SC(=O)OCC)(SC1=C(SCCS1)SC(=O)OCC)(C)C
• 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: 7.623 ± 0.003 Å
• b: 20.585 ± 0.004 Å
• c: 17.012 ± 0.003 Å
• α: 90°
• β: 90.53 ± 0.04°
• γ: 90°
• Cell volume: 2669.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.0833
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No