Information card for entry 7003851

Structure parameters

• Formula: C62 H50 F24 N12 P4 Ru2
• Calculated formula: C62 H50 F24 N12 P4 Ru2
• SMILES: c1cccc2c3cccc[n]3[Ru]34([n]12)([n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc(CCc2cccc3c5cccc[n]5[Ru]56([n]23)([n]2ccccc2c2cccc[n]52)[n]2ccccc2c2cccc[n]62)[n]41.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Physical, photophysical and structural properties of ruthenium(ii) complexes containing a tetradentate bipyridine ligand
• Authors of publication: Kirgan, R. A.; Witek, P. A.; Moore, C.; Rillema, D. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3189 - 3198
• a: 17.6413 ± 0.0011 Å
• b: 18.0183 ± 0.0011 Å
• c: 22.1426 ± 0.0012 Å
• α: 91.954 ± 0.004°
• β: 107.32 ± 0.004°
• γ: 102.527 ± 0.004°
• Cell volume: 6522.4 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1902
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No