Information card for entry 2203852

Structure parameters

• Chemical name: 3-(1,10-Phenanthrolin-2-yl)-5,6-diphenyl-as-triazinedichlorocopper(II)
• Formula: C27 H17 Cl2 Cu N5
• Calculated formula: C27 H17 Cl2 Cu N5
• SMILES: [Cu]12(Cl)(Cl)[n]3cccc4ccc5c([n]1c(cc5)c1[n]2nc(c(n1)c1ccccc1)c1ccccc1)c34
• Title of publication: Rerefinement of dichloro[3-(1,10-phenanthrolin-2-yl)-5,6-diphenyl-1,2,4-triazine]copper(II) as an anhydrous structure
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m937 - m938
• a: 10.32 ± 0.001 Å
• b: 10.441 ± 0.001 Å
• c: 11.793 ± 0.001 Å
• α: 98.878 ± 0.001°
• β: 90.545 ± 0.002°
• γ: 107.244 ± 0.001°
• Cell volume: 1196.99 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes