Information card for entry 2205812

Structure parameters

• Chemical name: Bis[2,4-bis(2-pyridyl-κN)-6-(4-pyridyl)-1,3,5-triazine-κN^3^]ruthenium(II) bis(hexafluorophosphate)
• Formula: C36 H24 F12 N12 P2 Ru
• Calculated formula: C36 H24 F12 N12 P2 Ru
• SMILES: c12[n]3c(c4cccc[n]4[Ru]453([n]3c(nc(nc3c3cccc[n]43)c3ccncc3)c3[n]5cccc3)[n]3ccccc23)nc(n1)c1ccncc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[2,4-bis(2-pyridyl-κ<i>N</i>)-6-(4-pyridyl)-1,3,5-triazine-κ<i>N</i>^3^]ruthenium(II) bis(hexafluorophosphate)
• Authors of publication: Hartshorn, Richard M.; Zibaseresht, Ramin; Robinson, Ward T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m981 - m983
• a: 21.474 ± 0.011 Å
• b: 11.008 ± 0.006 Å
• c: 16.044 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3793 ± 3 ų
• Cell temperature: 358 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes