Information card for entry 7107174

Structure parameters

• Formula: C38 H48 F12 N7 P3 Ru
• Calculated formula: C38 H48 F12 N7 P3 Ru
• SMILES: C(=N\[P](C(C)C)(C(C)C)[Ru]123([n]4ccccc4c4cccc[n]14)[n]1c(c4cccc[n]24)cccc1c1cccc[n]31)/N(C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Can a functionalized phosphine ligand promote room temperature luminescence of the [Ru(bpy)(tpy)]2+ core ?
• Authors of publication: Emilie Lebon; Stephanie Bastin; Pierre Sutra; Laure Vendier; Remi E. Piau; Isabelle M. Dixon; Martial Boggio-Pasqua; Fabienne Alary; Jean-Louis Heully; Alain Igau; Alberto Juris
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 741
• a: 13.0299 ± 0.0008 Å
• b: 17.0758 ± 0.0012 Å
• c: 21.0409 ± 0.0012 Å
• α: 90°
• β: 104.414 ± 0.005°
• γ: 90°
• Cell volume: 4534.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No