Information card for entry 2223581

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)(5-isothiocyanato-1,10-phenanthroline)ruthenium(II) bis(hexafluoridophosphate) acetonitrile solvate
• Formula: C35 H26 F12 N8 P2 Ru S
• Calculated formula: C35 H26 F12 N8 P2 Ru S
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1[n]3cccc1)[n]1cccc2c(N=C=S)cc3c([n]4ccc3)c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Bis(2,2'-bipyridine)(5-isothiocyanato-1,10-phenanthroline)ruthenium(II) bis(hexafluoridophosphate) acetonitrile solvate
• Authors of publication: Nag, Samik; Pal, Amlan K.; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1184
• a: 9.129 ± 0.003 Å
• b: 12.397 ± 0.004 Å
• c: 17.084 ± 0.005 Å
• α: 88.618 ± 0.004°
• β: 89.704 ± 0.005°
• γ: 72.87 ± 0.004°
• Cell volume: 1847.1 ± 1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes