Information card for entry 7157434

Structure parameters

• Formula: C27 H28 Cl2 F2 N4 Si
• Calculated formula: C27 H28 Cl2 F2 N4 Si
• SMILES: [Si]12(F)(F)([n]3c(c4c2ccc(N(C)C)c4)cccc3)[n]2c(c3c1ccc(N(C)C)c3)cccc2.ClCCl
• 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: 14.1097 ± 0.0004 Å
• b: 10.9238 ± 0.0003 Å
• c: 17.0344 ± 0.0005 Å
• α: 90°
• β: 94.326 ± 0.003°
• γ: 90°
• Cell volume: 2618.06 ± 0.13 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: 0.0894
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No