Information card for entry 2242592

Structure parameters

• Chemical name: μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2'-bipyridine)chloridoruthenium(II)] bis(hexafluoridophosphate)
• Formula: C44 H32 Cl2 F12 N10 O3 P2 Ru2
• Calculated formula: C44 H32 Cl2 F12 N10 P2 Ru2
• SMILES: [Ru]123(Cl)([n]4ccccc4c4[n]1c(c1[n]5[Ru]6(Cl)([n]7ccccc7c45)([n]4c1cccc4)[n]1ccccc1c1[n]6cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure and redox potentials of the tppz-bridged {RuCl(bpy)}^+^ dimer
• Authors of publication: Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1250 - 1253
• a: 36.04 ± 0.03 Å
• b: 11.517 ± 0.011 Å
• c: 14.406 ± 0.014 Å
• α: 90°
• β: 95.258 ± 0.013°
• γ: 90°
• Cell volume: 5954 ± 10 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1926
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes