Information card for entry 2225322

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tris(4-fluorobenzyl)tin(IV)]{μ-[(<i>N</i>,<i>N</i>- diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'}]
• Formula: C30 H34 F3 N O2 S2 Sn
• Calculated formula: C30 H34 F3 N O2 S2 Sn
• SMILES: C(c1ccc(cc1)F)[Sn](Cc1ccc(cc1)F)(Cc1ccc(F)cc1)OC(=O)CSC(=S)N(C(C)C)C(C)C
• Title of publication: <i>catena</i>-Poly[[tris(4-fluorobenzyl)tin(IV)]{μ-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'}]
• Authors of publication: Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m314
• a: 11.2496 ± 0.0002 Å
• b: 25.7598 ± 0.0005 Å
• c: 11.4216 ± 0.0002 Å
• α: 90°
• β: 105.427 ± 0.001°
• γ: 90°
• Cell volume: 3190.58 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes