Information card for entry 4505215

Structure parameters

• Formula: C13 H12 S2
• Calculated formula: C13 H12 S2
• SMILES: S(c1ccccc1)CSc1ccccc1
• Title of publication: Silver Coodination Polymers with Flexible Ligands. Syntheses, Crystal Structures, and Effect of the Counteranion and the Solvent on the Structure of Complexes [AgL1X]∞ of the Bis(Phenylthio)methane LigandL1with Silver(I) Salts, X = ClO4-, BF4-, CF3COO-, CF3SO3-, CF3CF2CF2COO-, and-OOCCF2CF2COO-
• Authors of publication: Awaleh, Mohamed Osman; Badia, Antonella; Brisse, François
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1897
• a: 10.0741 ± 0.0002 Å
• b: 12.2003 ± 0.0002 Å
• c: 4.63 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 569.06 ± 0.019 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No