Information card for entry 4333814

Structure parameters

• Chemical name: Bis{1-tert-butanolato-(2,9,10-trioxa-6-aza-8,8,11,11- tetramethylstannatricyclo-[4.3.3.0^1.6^]dodecane} toluene solvate
• Formula: C37 H70 N2 O8 Sn2
• Calculated formula: C37 H70 N2 O8 Sn2
• 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: 11.8063 ± 0.0006 Å
• b: 12.5549 ± 0.0006 Å
• c: 14.1181 ± 0.0008 Å
• α: 90°
• β: 102.23 ± 0.006°
• γ: 90°
• Cell volume: 2045.19 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No