Information card for entry 2004759

Structure parameters

• Chemical name: tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone
• Formula: C27 H24 F12 N12 O P2 Ru
• Calculated formula: C27 H24 F12 N12 O P2 Ru
• SMILES: [P](F)(F)(F)(F)(F)[F-].C(=O)(C)C.[Ru]123([n]4c(ccnc4)c4ccnc[n]14)([n]1c(c4ccnc[n]34)ccnc1)[n]1c(ccnc1)c1ccnc[n]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Tris(4,4'-bipyrimidine)ruthenium(II) Bis(hexafluorophosphate) Acetone Solvate
• Authors of publication: Breu, J.; Belser, P.; Yersin, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 858 - 861
• a: 12.007 ± 0.003 Å
• b: 18.708 ± 0.005 Å
• c: 31.213 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7011 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.1109
• Goodness-of-fit parameter for all reflections: 0.981
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No