Information card for entry 3500013

Structure parameters

• Formula: C22 H24 Cl F6 N4 O2 P Ru S
• Calculated formula: C22 H24 Cl F6 N4 O2 P Ru S
• SMILES: [F-][P](F)(F)(F)(F)F.C[S](=O)([Ru]12(Cl)([n]3ccccc3c3[n]2cccc3)[n]2ccccc2c2[n]1cccc2)C.O
• Title of publication: [Ru(bpy)2Cl(DMSO)](PF6).H2O
• Authors of publication: Miguel Quirós
• Journal of publication: Personal communication to COD
• Year of publication: 2012
• a: 13.542 ± 0.002 Å
• b: 17.9856 ± 0.0018 Å
• c: 15.072 ± 0.003 Å
• α: 90°
• β: 121.326 ± 0.009°
• γ: 90°
• Cell volume: 3135.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1204
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes