Information card for entry 7004365

Structure parameters

• Formula: C43 H34 F12 N5 O3 P3 Ru
• Calculated formula: C43 H34 F12 N5 O3 P3 Ru
• SMILES: c1(ccccc1)O[P](Oc1ccccc1)(Oc1ccccc1)[Ru]123([n]4ccccc4c4cccc(c5cccc[n]25)[n]14)[n]1ccccc1c1cccc[n]31.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Broad HOMO‒LUMO gap tuning through the coordination of a single phosphine, aminophosphine or phosphite onto a Ru(tpy)(bpy)2+ core
• Authors of publication: Dixon, Isabelle M.; Lebon, Emilie; Loustau, Gilles; Sutra, Pierre; Vendier, Laure; Igau, Alain; Juris, Alberto
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5627 - 5635
• a: 14.609 ± 0.003 Å
• b: 14.272 ± 0.003 Å
• c: 39.99 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8338 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No