Information card for entry 4333812

Structure parameters

• Chemical name: bis(μ~3~-oxido)-bis(μ~2~-hydroxido)-tetrakis(2,8,9-trioxa-5-aza-3,3,7,7- tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane)-(stannanediol) hexaaqua solvate
• Formula: C40 H96 N4 O24 Sn5
• Calculated formula: C40 H84 N4 O18 Sn5
• SMILES: [N]123CC(O[Sn]4563(OC(C1)(C)C)[O](CC2)[Sn]12([O]5[Sn]357([N](CC(O3)(C)C)(CC(O5)(C)C)CC[O]47)[OH][Sn]3457([N](CC(O3)(C)C)(CC(O4)(C)C)CC[O]15)[O]1CC[N]34CC(O[Sn]14(OC(C3)(C)C)([O]27)[OH]6)(C)C)(O)O)(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: 21.4992 ± 0.0007 Å
• b: 14.945 ± 0.0006 Å
• c: 20.9125 ± 0.0008 Å
• α: 90°
• β: 92.874 ± 0.003°
• γ: 90°
• Cell volume: 6710.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No