Information card for entry 7003850

Structure parameters

• Formula: C32 H26 F12 N6 P2 Ru
• Calculated formula: C32 H26 F12 N6 P2 Ru
• SMILES: c1cccc2c3cccc[n]3[Ru]345([n]12)[n]1ccccc1c1cccc(CCc2cccc(c6cccc[n]56)[n]42)[n]31.[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: 10.347 ± 0.0004 Å
• b: 25.3692 ± 0.0009 Å
• c: 12.2177 ± 0.0004 Å
• α: 90°
• β: 90.221 ± 0.002°
• γ: 90°
• Cell volume: 3207.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No