Information card for entry 2236825

Structure parameters

• Chemical name: Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetratin(IV)
• Formula: C20 H46 N6 O4 S2 Sn4
• Calculated formula: C20.006 H46 N6 O4 S2 Sn4
• Title of publication: Di-μ~2~-isopropanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro-1<i>H</i>-1,2,4-triazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido-tetratin(IV)
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1546
• a: 9.6009 ± 0.0004 Å
• b: 10.0839 ± 0.0004 Å
• c: 18.3971 ± 0.0006 Å
• α: 90°
• β: 94.667 ± 0.004°
• γ: 90°
• Cell volume: 1775.2 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes