Information card for entry 2213906

Structure parameters

• Chemical name: Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate
• Formula: C46 H32 Br4 F12 N8 P2 Ru
• Calculated formula: C46 H32 Br4 F12 N8 P2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1cc(Br)cc(Br)c1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1cc(Br)cc(Br)c1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Bis[4'-(3,5-dibromophenyl)-2,2':6',2''-terpyridine]ruthenium(II) bis(hexafluorophosphate) acetonitrile disolvate
• Authors of publication: Chartrand, Daniel; Theobald, Isabelle; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1561 - m1561
• a: 8.3158 ± 0.0001 Å
• b: 9.2087 ± 0.0001 Å
• c: 16.2114 ± 0.0001 Å
• α: 89.7346 ± 0.0005°
• β: 88.7088 ± 0.0004°
• γ: 83.6367 ± 0.0005°
• Cell volume: 1233.47 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes