Information card for entry 2217557

Structure parameters

• Chemical name: [2,6-Bis(5-chloropyrimidin-2-yl)pyridine-κ^3^N^1^,N^2^,N^6^](2,2':6',2''- terpyridine-κ^3^N,N',N'')ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate
• Formula: C32 H24 Cl2 F12 N10 P2 Ru
• Calculated formula: C32 H24 Cl2 F12 N10 P2 Ru
• SMILES: [Ru]1234([n]5cc(Cl)cnc5c5[n]1c(ccc5)c1[n]2cc(Cl)cn1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC#N.CC#N
• Title of publication: [2,6-Bis(5-chloropyrimidin-2-yl-κ<i>N</i>)pyridine-κ<i>N</i>](2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate
• Authors of publication: Medlycott, Elaine A.; Wang, Jianhua; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m326 - m326
• a: 16.3846 ± 0.0002 Å
• b: 62.8985 ± 0.0008 Å
• c: 14.5581 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15003.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes