Information card for entry 8105758

Structure parameters

• Formula: C25 H19 N3 O0 S3 Sn
• Calculated formula: C25 H19 N3 S3 Sn
• SMILES: [Sn]1(Sc2sc(n[n]12)/N=C/c1sccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of (E)-1-(thiophen-2-yl)-N-(5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)methanimine, C25H19N3S3Sn
• Authors of publication: Sun, Junshan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 493 - 494
• a: 14.347 ± 0.004 Å
• b: 9.907 ± 0.003 Å
• c: 17.834 ± 0.005 Å
• α: 90°
• β: 108.388 ± 0.004°
• γ: 90°
• Cell volume: 2405.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No