Information card for entry 7714784

Structure parameters

• Common name: Ru(II) complex of pyridine-triazole ligand
• Chemical name: [Ru(Lpyridine)3](PF6)2.2MeCN.Et2O
• Formula: C64 H54 F12 N14 P2 Ru
• Calculated formula: C64 H54 F12 N14 P2 Ru
• Title of publication: Predictable electronic tuning of Fe^II and Ru^II complexes <i>via</i> choice of azine: correlation of ligand p<i>K</i>_a with <i>E</i>_pa(M^III/II) of complex.
• Authors of publication: Robb, Matthew G.; Bondì, Luca; Rodríguez-Jiménez, Santiago; Garden, Anna L.; Jerabek, Paul; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 1999 - 2007
• a: 14.3806 ± 0.0006 Å
• b: 16.2266 ± 0.0005 Å
• c: 17.3781 ± 0.0005 Å
• α: 102.239 ± 0.003°
• β: 112.933 ± 0.003°
• γ: 105.195 ± 0.003°
• Cell volume: 3371.5 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No