Information card for entry 2241000

Structure parameters

• Chemical name: [6',6"-Bis(pyridin-2-yl)-2,2':4',4":2",2"'-quaterpyridine](2,2'-bipyridine)chloridoruthenium(II) hexafluoridophosphate
• Formula: C40 H28 Cl F6 N8 P Ru
• Calculated formula: C40 H28 Cl F6 N8 P Ru
• Title of publication: Crystal structure of a mononuclear Ru^II^ complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy‒tpy)]^+^
• Authors of publication: Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1017 - 1021
• a: 8.678 ± 0.004 Å
• b: 13.743 ± 0.007 Å
• c: 18.999 ± 0.01 Å
• α: 94.913 ± 0.007°
• β: 90.583 ± 0.007°
• γ: 91.316 ± 0.007°
• Cell volume: 2257 ± 2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes