Information card for entry 4333813

Structure parameters

• Chemical name: 1-tert-butanolato-(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-stannatricyclo[3.3.3.0^1.5^]undecane
• Formula: C14 H29 N O4 Sn
• Calculated formula: C14 H29 N O4 Sn
• SMILES: [Sn]123(OC(C[N]3(CC(O1)(C)C)CCO2)(C)C)OC(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: 14.665 ± 0.0005 Å
• b: 10.4734 ± 0.0004 Å
• c: 22.9617 ± 0.0009 Å
• α: 90°
• β: 95.578 ± 0.004°
• γ: 90°
• Cell volume: 3510 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No