Information card for entry 2237269

Structure parameters

• Chemical name: <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine- κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate)
• Formula: C34 H28 F12 N8 P2 Ru
• Calculated formula: C34 H28 F12 N8 P2 Ru
• SMILES: [Ru]12([n]3ccc(N)cc3)([n]3c4c5[n]2cccc5ccc4ccc3)([n]2c3c4c(ccc3ccc2)ccc[n]14)[n]1ccc(cc1)N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate)
• Authors of publication: Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m75 - m76
• a: 13.0943 ± 0.0003 Å
• b: 14.573 ± 0.0003 Å
• c: 19.9366 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3804.37 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes