Information card for entry 7057490

Structure parameters

• Formula: C14 H22 N2 O4 S3 Sn
• Calculated formula: C14 H22 N2 O4 S3 Sn
• Title of publication: Syntheses, structures and anti-tumor activity of four organotin(iv) dicarboxylates based on (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid
• Authors of publication: Yan, Fei-Fei; Ma, Chun-Lin; Li, Qian-Li; Zhang, Shao-Liang; Ru, Jing; Cheng, Shuang; Zhang, Ru-Fen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11601
• a: 8.7371 ± 0.0007 Å
• b: 27.488 ± 0.002 Å
• c: 9.268 ± 0.0009 Å
• α: 90°
• β: 112.127 ± 0.003°
• γ: 90°
• Cell volume: 2061.9 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1855
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2546
• Weighted residual factors for all reflections included in the refinement: 0.3012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No