Information card for entry 4312693

Structure parameters

• Common name: out-[RuII(py)(Hbpp)(trpy)](PF6)2
• Chemical name: out-(2,2':6',2"-terpyridine)(bis-3,5(2-pyridyl)pyrazole) (pyridine)Ruthenium hexafluorophosphate
• Formula: C33 H28 F12 N8 O P2 Ru
• Calculated formula: C33 H28 F12 N8 O P2 Ru
• SMILES: [Ru]123([n]4c(cccc4)c4[n]1[nH]c(c4)c1ncccc1)([n]1c(cccc1)c1[n]2c(ccc1)c1[n]3cccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Synthesis, Structure, and Acid-Base and Redox Properties of a Family of New Ru(II) Isomeric Complexes Containing the Trpy and the Dinucleating Hbpp Ligands
• Authors of publication: Cristina Sens; Montserrat Rodríguez; Isabel Romero; Antoni Llobet; Teodor Parella; Jordi Benet-Buchholz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8385 - 8394
• a: 21.252 ± 0.003 Å
• b: 8.5801 ± 0.0012 Å
• c: 21.142 ± 0.003 Å
• α: 90°
• β: 114.132 ± 0.004°
• γ: 90°
• Cell volume: 3518.2 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.1743
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No