Information card for entry 4328005

Structure parameters

• Chemical name: 1,4-Bis((2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl-1- stannatricyclo[3.3.3.01.5] undecane-1-yloxy)dimethylsilyl)benzene
• Formula: C34 H64 N2 O8 Si2 Sn2
• Calculated formula: C34 H64 N2 O8 Si2 Sn2
• SMILES: [N]123CC(O[Sn]2(OC(C1)(C)C)(OC(C3)(C)C)O[Si](C)(C)c1ccc(cc1)[Si](O[Sn]123[N](CC(O1)(C)C)(CC(O2)(C)C)CC(O3)(C)C)(C)C)(C)C
• Title of publication: Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties
• Authors of publication: Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1041 - 1056
• a: 8.312 ± 0.0003 Å
• b: 18.8886 ± 0.0007 Å
• c: 13.746 ± 0.0005 Å
• α: 90°
• β: 101.728 ± 0.004°
• γ: 90°
• Cell volume: 2113.1 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No