Information card for entry 2004887

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate
• Formula: C36 H24 F12 N6 P2 Ru
• Calculated formula: C36 H24 F12 N6 P2 Ru
• SMILES: [Ru]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)
• Authors of publication: Breu, J.; Stoll, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1174 - 1177
• a: 37.086 ± 0.009 Å
• b: 16.045 ± 0.005 Å
• c: 12.128 ± 0.005 Å
• α: 90°
• β: 101.425 ± 0.015°
• γ: 90°
• Cell volume: 7074 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.1039
• Goodness-of-fit parameter for all reflections: 0.914
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No