Information card for entry 4081083

Structure parameters

• Formula: C28 H68 N4 O8 Sn4
• Calculated formula: C28 H68 N4 O8 Sn4
• SMILES: C[Sn]123([O]4CC[N]5(CC[O]6[Sn]45(C)(C)([O]3CC[N]1(CCO2)C)[O]1CC[N]2(C)CC[O]3[Sn]45(C)(C)[N](CCO4)(C)CC[O]5[Sn]6123(C)C)C)C
• Title of publication: Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3
• Authors of publication: Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4262
• a: 8.118 ± 0.0005 Å
• b: 18.8863 ± 0.0014 Å
• c: 13.1915 ± 0.0009 Å
• α: 90°
• β: 101.103 ± 0.006°
• γ: 90°
• Cell volume: 1984.7 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No