Information card for entry 1565443

Structure parameters

• Common name: [Ru(PhCN)2(L)](CF3SO3)2*0.5(H2O)
• Chemical name: (N,N'-Bis(2-pyridylmethyl)-o-phenylenediamine)-bis(benzonitrile)- ruthenium(II) bis(triflate) hemihydrate
• Formula: C34 H29 F6 N6 O6.5 Ru S2
• Calculated formula: C34 H28.996 F6 N6 O6.498 Ru S2
• Title of publication: Synthesis and characterization of novel tetradentate ruthenium complexes of a pyridine-o-phenylenediamine based chelate ligand
• Authors of publication: Stones, Maryanne K.; Sullivan, Ryan J.; Soldatov, Dmitriy V.; Schlaf, Marcel
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119391
• a: 10.42053 ± 0.00011 Å
• b: 15.64518 ± 0.00014 Å
• c: 23.5928 ± 0.0003 Å
• α: 90°
• β: 98.1828 ± 0.001°
• γ: 90°
• Cell volume: 3807.2 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No