Information card for entry 7004363

Structure parameters

• Formula: C31 H34 F12 N5 O3 P3 Ru
• Calculated formula: C31 H34 F12 N5 O3 P3 Ru
• 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: 20.5612 ± 0.0006 Å
• b: 14.9833 ± 0.0005 Å
• c: 29.1467 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8979.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 180 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: 0.1388
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No