Information card for entry 2224685

Structure parameters

• Chemical name: 4,7-Diphenyl-2,9-bis(trichloromethyl)-1,10-phenanthroline
• Formula: C26 H14 Cl6 N2
• Calculated formula: C26 H14 Cl6 N2
• SMILES: ClC(c1cc(c2ccccc2)c2c(n1)c1nc(cc(c1cc2)c1ccccc1)C(Cl)(Cl)Cl)(Cl)Cl
• Title of publication: 4,7-Diphenyl-2,9-bis(trichloromethyl)-1,10-phenanthroline
• Authors of publication: Xie, Min-Hao; Liu, Ya-Ling; Zou, Pei; He, Yong-Jun; Huang, Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o5
• a: 11.253 ± 0.002 Å
• b: 19.789 ± 0.004 Å
• c: 11.299 ± 0.002 Å
• α: 90°
• β: 106.544 ± 0.003°
• γ: 90°
• Cell volume: 2412 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes