Information card for entry 7157435

Structure parameters

• Formula: C23 H18 Cl2 F2 N2 Si
• Calculated formula: C23 H18 Cl2 F2 N2 Si
• SMILES: ClCCl.[Si]12(F)(F)([n]3c(c4c1cccc4)cccc3)[n]1c(c3c2cccc3)cccc1
• Title of publication: Synthesis, structures and photophysical properties of hexacoordinated organosilicon compounds with 2-(2-pyridyl)phenyl groups.
• Authors of publication: Furuta, Shohei; Mori, Toshiaki; Yoshigoe, Yusuke; Sekine, Kohei; Kuninobu, Yoichiro
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3239 - 3242
• a: 9.0006 ± 0.0003 Å
• b: 16.2355 ± 0.0004 Å
• c: 14.0783 ± 0.0004 Å
• α: 90°
• β: 96.804 ± 0.003°
• γ: 90°
• Cell volume: 2042.76 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No