Information card for entry 7245225

Structure parameters

• Chemical name: 1,10-Phenanthroline-1,2,4,5-tetracyanobenzene
• Formula: C22 H10 N6
• Calculated formula: C22 H10 N6
• SMILES: n1c2c3ncccc3ccc2ccc1.c1(c(cc(c(c1)C#N)C#N)C#N)C#N
• Title of publication: Tunable multiple light emissions of core-shell structures based on rare earth ions doped on the surfaces of organic cocrystals
• Authors of publication: Wang, Jing; Xu, Shuping; Xue, Xiangxin; zhao, lina; Xu, Weiqing
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2022
• a: 16.5206 ± 0.0005 Å
• b: 7.649 ± 0.0003 Å
• c: 14.4843 ± 0.0005 Å
• α: 90°
• β: 91.55 ± 0.001°
• γ: 90°
• Cell volume: 1829.65 ± 0.11 ų
• Cell temperature: 297.15 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 3
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No