Information card for entry 4333817

Structure parameters

• Chemical name: (μ~3~-oxido)(2,6-dimethylphenolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7- tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane) toluene solvate
• Formula: C41.5 H73 N3 O11 Sn3
• Calculated formula: C38 H69 N3 O11 Sn3
• SMILES: [Sn]12345OC(C[N]5(CC(O1)(C)C)CC[O]2[Sn]12567[O]4[Sn]489([O]5CC[N]7(CC(O1)(C)C)CC(O2)(C)C)(OC(C[N]8(CC([O]46)(C)C)CC[O]39)(C)C)Oc1c(cccc1C)C)(C)C
• Title of publication: Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures
• Authors of publication: Thomas Zöller; Klaus Jurkschat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1872 - 1882
• a: 10.3333 ± 0.0004 Å
• b: 12.1067 ± 0.0005 Å
• c: 20.0604 ± 0.0009 Å
• α: 96.438 ± 0.003°
• β: 98.35 ± 0.004°
• γ: 108.326 ± 0.004°
• Cell volume: 2323.57 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No