Information card for entry 4069740

Structure parameters

• Formula: C19 H16 S2
• Calculated formula: C19 H16 S2
• SMILES: s1c(cc(C2=C(CCC2)c2cc(sc2C)C#C)c1C)C#C
• Title of publication: Syntheses and Properties of Binuclear Ruthenium Vinyl Complexes with Dithienylethene Units as Multifunction Switches
• Authors of publication: Lin, Yan; Yuan, Jingjing; Hu, Ming; Cheng, Jie; Yin, Jun; Jin, Shan; Liu, Sheng Hua
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6402
• a: 10.7458 ± 0.0011 Å
• b: 7.699 ± 0.0008 Å
• c: 20.227 ± 0.002 Å
• α: 90°
• β: 102.002 ± 0.002°
• γ: 90°
• Cell volume: 1636.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No