Information card for entry 4081885

Structure parameters

• Common name: Integration of K102Duo
• Formula: C70 H92 N P Sn
• Calculated formula: C70 H92 N P Sn
• SMILES: [Sn]1(c2c(P(c3ccccc3)(=[N]1C13CC4CC(CC(C1)C4)C3)c1ccccc1)cccc2)c1c(c2c(C(C)C)cc(C(C)C)cc2C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC
• Title of publication: Stannylene-Based Lewis Pairs
• Authors of publication: Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6785
• a: 28.7237 ± 0.0014 Å
• b: 23.8226 ± 0.0011 Å
• c: 17.6686 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12090.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No