Information card for entry 8105641

Structure parameters

• Formula: C12 H14 F N3 S2 Sn
• Calculated formula: C12 H14 F N3 S2 Sn
• SMILES: [Sn](C)(Sc1sc(/N=C/c2ccc(F)cc2)nn1)(C)C
• Title of publication: Crystal structure of catena-poly[(1-(4-fluorophenyl)-N–(5-((trimethylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine], (C12H14FN3S2Sn)n
• Authors of publication: Sun, Junshan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 347 - 348
• a: 12.954 ± 0.003 Å
• b: 11.494 ± 0.003 Å
• c: 20.825 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No