Information card for entry 2212824

Structure parameters

• Chemical name: Dichlorido[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine]copper(II)
• Formula: C20 H14 Cl2 Cu N4
• Calculated formula: C20 H14 Cl2 Cu N4
• SMILES: [Cu]1([n]2nc(c(nc2c2[n]1cccc2)c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: Dichlorido[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine]copper(II)
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Hoong-Kun Fun; Kamarulazizi Ibrahim; Mohd Mustaqim Rosli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1182 - m1184
• a: 12.8511 ± 0.0001 Å
• b: 55.155 ± 0.0006 Å
• c: 10.0623 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7132.18 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes