Information card for entry 2214655

Structure parameters

• Chemical name: [μ~2~-2,5-Dimercapto-1,3,4-thiadiazole(2-)-κ^2^N:N]bis(μ~2~- methanolato)-μ~3~-oxido-tris[bis(4-fluorobenzyl)tin(IV)] benzene hemisolvate
• Formula: C49 H51 F6 N2 O3 S3 Sn3
• Calculated formula: C49 H45 F6 N2 O3 S3 Sn3
• SMILES: C[O]1[Sn]2(Cc3ccc(F)cc3)(Cc3ccc(F)cc3)[O]3[Sn]1(Cc1ccc(cc1)F)(N1C(=S)SC(=S)N1[Sn]3([O]2C)(Cc1ccc(F)cc1)Cc1ccc(F)cc1)Cc1ccc(F)cc1.c1ccccc1
• Title of publication: [μ~2~-2,5-Dimercapto-1,3,4-thiadiazole(2‒)-κ^2^<i>N</i>:<i>N</i>]bis(μ~2~-methanolato)-μ~3~-oxido-tris[bis(4-fluorobenzyl)tin(IV)] benzene hemisolvate
• Authors of publication: Jun-Hong Zhang; Chun-Lin Ma; Ru-Fen Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2161 - m2161
• a: 10.3309 ± 0.0009 Å
• b: 45.937 ± 0.004 Å
• c: 13.5763 ± 0.0008 Å
• α: 90°
• β: 129.394 ± 0.004°
• γ: 90°
• Cell volume: 4979.1 ± 0.7 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: 0.0667
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes