Information card for entry 4312692

Structure parameters

• Common name: Out-[RuII(Cl)(H2bpp)(trpy)](PF6)(Cl)
• Chemical name: Out-(chloro)(2,2':6',2"-terpyridine)(3(2-pyridylium), 5(2-pyridyl)pyrazole)Ruthenium chloride and hexafluorophosphate
• Formula: C28 H22 Cl2 F6 N7 O4.63 P Ru
• Calculated formula: C28 H22 Cl2 F6 N7 O4.625 P Ru
• 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: 8.7598 ± 0.0013 Å
• b: 14.059 ± 0.002 Å
• c: 20.349 ± 0.003 Å
• α: 91.277 ± 0.006°
• β: 92.076 ± 0.008°
• γ: 101.509 ± 0.006°
• Cell volume: 2452.9 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1851
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No