Information card for entry 2236824

Structure parameters

• Chemical name: Di-μ~2~-ethanolato-octamethylbis(μ-4-methyl-5-sulfanylidene-4,5-dihydro- 1<i>H</i>-1,2,4-triazolido-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ~3~-oxido- tetratin(IV)
• Formula: C18 H42 N6 O4 S2 Sn4
• Calculated formula: C18 H42 N6 O4 S2 Sn4
• SMILES: C[Sn]12(C)[O]3[Sn](C)(C)(N4C(=S)N(C=N4)C)[O](CC)[Sn]3(C)(C)[O]1[Sn](C)(C)(N1C(=S)N(C=N1)C)[O]2CC
• Title of publication: Di-μ~2~-ethanolato-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: m1545
• a: 9.3965 ± 0.0004 Å
• b: 17.8939 ± 0.0007 Å
• c: 9.9084 ± 0.0004 Å
• α: 90°
• β: 103.036 ± 0.004°
• γ: 90°
• Cell volume: 1623.06 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes