Information card for entry 8104564

Structure parameters

• Formula: C27 H21 N3 O S2 Sn
• Calculated formula: C27 H21 N3 O S2 Sn
• SMILES: [Sn]1([n]2nc(/N=C/c3c(O)cccc3)sc2S1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The crystal structure of (E)-2-(((5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C27H21N3OS2Sn
• Authors of publication: Sun, Junshan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1195 - 1197
• a: 11.064 ± 0.003 Å
• b: 11.538 ± 0.003 Å
• c: 12.257 ± 0.003 Å
• α: 107.146 ± 0.003°
• β: 96.968 ± 0.003°
• γ: 117.85 ± 0.003°
• Cell volume: 1258.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No