Information card for entry 4336573

Structure parameters

• Formula: C32 H30 F6 N7 O5 P Ru
• Calculated formula: C32 H30 F6 N7 O5 P Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1c(cc(N(C)C)c4)c1[n]2cccc1)([n]1ccc(cc1c1[n]3ccc(c1)C(=O)OC)C(=O)OC)C#N.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Varying Substituents and Solvents To Maximize the Luminescence from [Ru(trpy)(bpy)CN]+ Derivatives
• Authors of publication: Matthew A. Bork; Hunter B. Vibbert; David J. Stewart; Phillip E. Fanwick; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12553 - 12560
• a: 39.7766 ± 0.0015 Å
• b: 8.8488 ± 0.0004 Å
• c: 20.69 ± 0.0007 Å
• α: 90°
• β: 101.639 ± 0.002°
• γ: 90°
• Cell volume: 7132.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes