Information card for entry 2217302

Structure parameters

• Chemical name: Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine- κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^)ruthenium(II) bis(hexafluoridophosphate)
• Formula: C38 H26 F12 N10 P2 Ru
• Calculated formula: C38 H26 F12 N10 P2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(nc(n5)c1ccccc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(nc(n1)c1ccccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis(2-phenyl-4,6-di-2-pyridyl-1,3,5-triazine-κ^3^<i>N</i>^4^,<i>N</i>^5^,<i>N</i>^6^)ruthenium(II) bis(hexafluoridophosphate)
• Authors of publication: Polson, Matthew I. J.; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m254 - m255
• a: 9.0995 ± 0.0003 Å
• b: 32.5979 ± 0.0011 Å
• c: 13.1451 ± 0.0005 Å
• α: 90°
• β: 91.774 ± 0.002°
• γ: 90°
• Cell volume: 3897.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes