Information card for entry 4333815

Structure parameters

• Chemical name: Bis{1-(2,6-dimethylphenolato)-(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-stannatricyclo[3.3.3.0^1.5^]undecane}
• Formula: C36 H58 N2 O8 Sn2
• Calculated formula: C36 H58 N2 O8 Sn2
• SMILES: O1C(C[N]23[Sn]41(OC(C)(C2)C)([O](CC3)[Sn]123([N](CC(O1)(C)C)(CC(O2)(C)C)CC[O]43)Oc1c(cccc1C)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: 8.3446 ± 0.0003 Å
• b: 15.589 ± 0.0005 Å
• c: 14.5629 ± 0.0005 Å
• α: 90°
• β: 94.049 ± 0.003°
• γ: 90°
• Cell volume: 1889.67 ± 0.11 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: 0.0267
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No