Information card for entry 2208973

Structure parameters

• Chemical name: Phenyltris(pyrimidine-2-thiolato)tin(IV)
• Formula: C18 H14 N6 S3 Sn
• Calculated formula: C18 H14 N6 S3 Sn
• SMILES: [Sn]123([n]4c(nccc4)S1)([n]1c(S2)nccc1)([n]1c(S3)nccc1)c1ccccc1
• Title of publication: Phenyltris(pyrimidine-2-thiolato)tin(IV)
• Authors of publication: Li, Yong-Xin; Zhang, Ru-Fen; Ma, Chun-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m957 - m958
• a: 16.242 ± 0.004 Å
• b: 9.468 ± 0.002 Å
• c: 14.111 ± 0.003 Å
• α: 90°
• β: 106.959 ± 0.003°
• γ: 90°
• Cell volume: 2075.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.031
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No