Information card for entry 1556476

Structure parameters

• Formula: C81 H108 Li N9 O9 Sn4
• Calculated formula: C81 H108 Li N9 O9 Sn4
• SMILES: c1(cccc([n]12)OC(C)(C)C)[Sn]([Sn]([Sn](c1nc(ccc1)OC(C)(C)C)(c1nc(ccc1)OC(C)(C)C)c1nc(ccc1)OC(C)(C)C)[Sn](c1nc(ccc1)OC(C)(C)C)(c1nc(ccc1)OC(C)(C)C)c1nc(ccc1)OC(C)(C)C)(c1[n]3c(ccc1)OC(C)(C)C)c1[n](c(ccc1)OC(C)(C)C)[Li]23
• Title of publication: Monoanionic Tin Oligomers Featuring Sn-Sn or Sn-Pb Bonds: Synthesis and Characterization of a Tris(Triheteroarylstannyl)Stannate and -Plumbate
• Authors of publication: Zeckert, K.
• Journal of publication: Inorganics
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 19
• a: 16.2901 ± 0.0009 Å
• b: 17.2775 ± 0.0008 Å
• c: 19.5167 ± 0.0008 Å
• α: 103.329 ± 0.004°
• β: 101.969 ± 0.004°
• γ: 118.018 ± 0.005°
• Cell volume: 4388.4 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No