Information card for entry 7004360

Structure parameters

• Formula: C44 H39 F12 N6 O P3 Ru
• Calculated formula: C44 H39 F12 N6 O 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: 9.6647 ± 0.0004 Å
• b: 11.7577 ± 0.0005 Å
• c: 22.6217 ± 0.001 Å
• α: 76.051 ± 0.004°
• β: 85.002 ± 0.004°
• γ: 76.882 ± 0.004°
• Cell volume: 2428.27 ± 0.19 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2367
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No