Information card for entry 7051044

Structure parameters

• Formula: C32 H26 F12 N6 P2
• Calculated formula: C32 H26 F12 N6 P2
• SMILES: C(c1ccnc(c1)c1cc(C[n+]2ccc(c3ccncc3)cc2)ccn1)[n+]1ccc(c2ccncc2)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects
• Authors of publication: Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 458
• a: 6.3652 ± 0.0009 Å
• b: 35.256 ± 0.011 Å
• c: 7.6591 ± 0.0017 Å
• α: 90°
• β: 108.033 ± 0.017°
• γ: 90°
• Cell volume: 1634.4 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.6875 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No