Information card for entry 4333816

Structure parameters

• Chemical name: (μ~3~-oxido)(μ~3~-tert-butanolato)-tris(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane)
• Formula: C34 H69 N3 O11 Sn3
• Calculated formula: C34 H69 N3 O11 Sn3
• SMILES: [Sn]123456[O]7[Sn]89%10%11([O]6(C(C)(C)C)[Sn]7%12%13%14([O]4CC[N]1(CC(O2)(C)C)CC(O3)(C)C)OC(C[N]%12(CC(O%13)(C)C)CC[O]%11%14)(C)C)OC(C[N]8(CC(O9)(C)C)CC[O]5%10)(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: 12.5366 ± 0.0003 Å
• b: 19.3994 ± 0.0006 Å
• c: 17.3503 ± 0.0004 Å
• α: 90°
• β: 93.103 ± 0.002°
• γ: 90°
• Cell volume: 4213.45 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No