Information card for entry 4320748

Structure parameters

• Common name: [Ru~(ptzo)~(bpy)~2](ClO~4~)~2~H~2~O
• Chemical name: pzto-bis-2,2'-bipyridine-ruthenium(II) perchlorate hydrate
• Formula: C33 H25 Cl2 N9 O10 Ru
• Calculated formula: C33 H26 Cl2 N9 O11 Ru
• SMILES: [Ru]123([n]4c5c(C6C(c7ccc[n]1c57)=NC(=O)NN=6)ccc4)([n]1ccccc1c1[n]2cccc1)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Synthesis, Characterization, and Crystal Structure of a Functionalized Ruthenium(II) Polypyridyl Complex with Fused Triazinone as Ligand
• Authors of publication: Xiao-Hua Zou; Hong Li; Guang Yang; Hong Deng; Jie Liu; Run-Hua Li; Qian-Ling Zhang; Ya Xiong; Liang-Nian Ji
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 7091 - 7095
• a: 16.62 ± 0.002 Å
• b: 16.62 ± 0.002 Å
• c: 13.02 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3596.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No