Information card for entry 7011186

Structure parameters

• Formula: C15 H14 N4 O2
• Calculated formula: C15 H14 N4 O2
• SMILES: n1ccccc1c1n[nH]c(n1)c1cc(ccc1OC)OC
• Title of publication: Synthesis, spectroscopic and electrochemical properties of mononuclear and dinuclear bis(bipy)ruthenium(II) complexes containing dimethoxyphenyl(pyridin-2-yl)-1,2,4-triazole ligands
• Authors of publication: Paolo Passaniti; Wesley R. Browne; Fiona C. Lynch; Donal Hughes; Mark Nieuwenhuyzen; Paraic James; Mauro Maestri; Johannes G. Vos
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1740 - 1746
• a: 10.664 ± 0.002 Å
• b: 17.689 ± 0.007 Å
• c: 15.057 ± 0.003 Å
• α: 90°
• β: 96.96 ± 0.01°
• γ: 90°
• Cell volume: 2819.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No