Information card for entry 4345095

Structure parameters

• Formula: C70 H90 N4 O2 Sn2
• Calculated formula: C70 H90 N4 O2 Sn2
• SMILES: [Sn]([Sn](c1c(cccc1c1c(cc(cc1C)C)C)c1c(C)cc(C)cc1C)=C1N(C(C)=C(C)N1C)C)(c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(C)cc1C)C)=C1N(C)C(C)=C(C)N1C.O1CCCC1.O1CCCC1
• Title of publication: Cationic Stannylenes: In Situ Generation and NMR Spectroscopic Characterization.
• Authors of publication: Sindlinger, Christian P.; Aicher, Frederik S. W.; Wesemann, Lars
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 548 - 560
• a: 13.2163 ± 0.0004 Å
• b: 13.441 ± 0.0004 Å
• c: 18.2765 ± 0.0005 Å
• α: 105.586 ± 0.001°
• β: 100.385 ± 0.001°
• γ: 91.977 ± 0.001°
• Cell volume: 3064.22 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No