Information card for entry 4085575

Structure parameters

• Formula: C26 H36 N2 Sn
• Calculated formula: C26 H36 N2 Sn
• Title of publication: Aromaticity of an Unsaturated N-Heterocyclic Stannylene (HCRN)2SnIIAs Studied by Optical Spectra and Quantum Chemistry. Comparison in the Series (HCRN)2EII, E = C, Si, Ge, Sn (R =t-Bu or Dip)
• Authors of publication: Leites, Larissa A.; Bukalov, Sergey S.; Aysin, Rinat R.; Piskunov, Alexander V.; Chegerev, Maxim G.; Cherkasov, Vladimir K.; Zabula, Alexander V.; West, Robert
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2278
• a: 19.996 ± 0.006 Å
• b: 6.518 ± 0.002 Å
• c: 20.004 ± 0.005 Å
• α: 90°
• β: 103.047 ± 0.011°
• γ: 90°
• Cell volume: 2539.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.1 K
• Number of distinct elements: 4
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No