Information card for entry 2229293

Structure parameters

• Chemical name: Di-μ~2~-methanolato-bis(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- tetrakis[dibutyltin(IV)]
• Formula: C40 H86 N6 O4 S2 Sn4
• Calculated formula: C40 H86 N6 O4 S2 Sn4
• SMILES: C(CCC)[Sn]1(CCCC)(N2C(=S)N(C=N2)C)[O](C)[Sn]2([O]1[Sn]1(CCCC)(CCCC)[O](C)[Sn](CCCC)(CCCC)(N3N=CN(C3=S)C)[O]21)(CCCC)CCCC
• Title of publication: Di-μ~2~-methanolato-bis(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-tetrakis[dibutyltin(IV)]
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m243
• a: 12.3387 ± 0.0003 Å
• b: 12.9885 ± 0.0004 Å
• c: 16.7968 ± 0.0005 Å
• α: 81.437 ± 0.003°
• β: 83.636 ± 0.002°
• γ: 88.474 ± 0.002°
• Cell volume: 2645.32 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes