Information card for entry 4101429

Structure parameters

• Formula: C86 H94 Li2 O10 Sn2
• Calculated formula: C86 H94 Li2 O10 Sn2
• SMILES: C1(=C(C(=C(c2ccccc2)[Sn]1[Sn]1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1ccccc1.[Li]123([O]4CC[O]1CC[O]2CC[O]3CC4)[O]1CCCC1.[Li]123([O]4CC[O]1CC[O]2CC[O]3CC4)[O]1CCCC1
• Title of publication: Reversible redox behavior between stannole dianion and bistannole-1,2-dianion.
• Authors of publication: Haga, Ryuta; Saito, Masaichi; Yoshioka, Michikazu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 4934 - 4935
• a: 35.223 ± 0.003 Å
• b: 11.1137 ± 0.0009 Å
• c: 25.776 ± 0.002 Å
• α: 90°
• β: 130.96 ± 0.003°
• γ: 90°
• Cell volume: 7619.8 ± 1.1 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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: 0.0545
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No