Information card for entry 2225140

Structure parameters

• Chemical name: 2,9-Bis(trichloromethyl)-1,10-phenanthroline
• Formula: C14 H6 Cl6 N2
• Calculated formula: C14 H6 Cl6 N2
• SMILES: ClC(c1ccc2c(n1)c1nc(ccc1cc2)C(Cl)(Cl)Cl)(Cl)Cl
• Title of publication: 2,9-Bis(trichloromethyl)-1,10-phenanthroline
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Maity, Annada C.; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o424
• a: 24.3001 ± 0.0006 Å
• b: 6.8825 ± 0.0002 Å
• c: 20.3461 ± 0.0005 Å
• α: 90°
• β: 114.689 ± 0.001°
• γ: 90°
• Cell volume: 3091.74 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0714
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes