Information card for entry 7117084

Structure parameters

• Chemical name: 1,2-bis(indol-2-yl)benzene dimethylsilyl complex
• Formula: C25 H21 Cl3 N2 Si
• Calculated formula: C25 H21 Cl3 N2 Si
• SMILES: c12ccccc1cc1c3ccccc3c3cc4c(cccc4)n3[Si](C)(C)n21.C(Cl)(Cl)Cl
• Title of publication: Tetracoordinate silicon complexes of 1,2-bis(indol-2-yl)benzene as blue-emitting dyes in the solid state
• Authors of publication: Takayuki Tanaka; Atsuhiro Osuka
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8123
• a: 10.681 ± 0.0019 Å
• b: 19.442 ± 0.004 Å
• c: 11.152 ± 0.002 Å
• α: 90°
• β: 101.368 ± 0.004°
• γ: 90°
• Cell volume: 2270.4 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No