Information card for entry 2213387

Structure parameters

• Chemical name: 2,2,6,6-Tetra-n-butyl-2,6-dichloro-4,8- bis{[(1E)-4-methoxybenzylidene]hydrazino}- 1,5-diaza-2,6-distanna-3,7-dithiabicyclo[3.3.0]octane 1,5-bis[(1E)-4-methoxybenzylidene]thiocarbonohydrazide ethanol solvate
• Formula: C72 H102 Cl2 N14 O8 S4 Sn2
• Calculated formula: C72 H102 Cl2 N14 O8 S4 Sn2
• SMILES: N(=C\c1ccc(OC)cc1)/NC(=S)N/N=C/c1ccc(OC)cc1.OCC.C(CCC)[Sn]1(Cl)([N]2=C(S[Sn]([N]2=C(S1)NN=Cc1ccc(cc1)OC)(CCCC)(CCCC)Cl)NN=Cc1ccc(cc1)OC)CCCC.N(=C\c1ccc(OC)cc1)/NC(=S)N/N=C/c1ccc(OC)cc1.OCC
• Title of publication: The first example of a dinuclear organotin complex with a C~2~N~2~S~2~Sn~2~ planar dicyclo fragment
• Authors of publication: Fang, Xiao-Niu; Wu, Jian-Hong; Sui, Yan; Hu, Ping; Hu, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1525 - m1526
• a: 8.9295 ± 0.0006 Å
• b: 10.3932 ± 0.0007 Å
• c: 24.015 ± 0.002 Å
• α: 81.439 ± 0.001°
• β: 85.35 ± 0.001°
• γ: 70.521 ± 0.001°
• Cell volume: 2076.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes