Information card for entry 2237270

Structure parameters

• Chemical name: <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine- κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile monosolvate
• Formula: C32 H31 F12 N9 P2 Ru
• Calculated formula: C32 H31 F12 N9 P2 Ru
• SMILES: [Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)([n]1ccc(N)cc1)[n]1ccc(N)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N
• Title of publication: <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile monosolvate
• 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: m77 - m78
• a: 10.829 ± 0.0003 Å
• b: 11.889 ± 0.0003 Å
• c: 16.102 ± 0.0004 Å
• α: 104.073 ± 0.001°
• β: 99.114 ± 0.002°
• γ: 107.761 ± 0.002°
• Cell volume: 1853.32 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes