Information card for entry 4133767

Structure parameters

• Formula: C147 H102 F27 N2 O6 P4 Ru S6 Yb
• Calculated formula: C147 H102 F27 N2 O6 P4 Ru S6 Yb
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#Cc1ccccc1)C#Cc1ccc2[n](c1)[Yb]134([n]5c2cccc5)([O]=C(C(F)(F)F)C=C(O1)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)(OC(=CC(=[O]3)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)C(F)(F)F)OC(=CC(=[O]4)c1sc(c(c1)C1=C(C(C(C1(F)F)(F)F)(F)F)c1c(sc(c1)c1ccccc1)C)C)C(F)(F)F
• Title of publication: Dual Light and Redox Control of NIR Luminescence with Complementary Photochromic and Organometallic Antennae.
• Authors of publication: Al Sabea, Hassan; Norel, Lucie; Galangau, Olivier; Hijazi, Hussein; Métivier, Remi; Roisnel, Thierry; Maury, Olivier; Bucher, Christophe; Riobé, François; Rigaut, Stéphane
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20026 - 20030
• a: 20.566 ± 0.0007 Å
• b: 22.9402 ± 0.0008 Å
• c: 23.6774 ± 0.0009 Å
• α: 71.31 ± 0.001°
• β: 65.059 ± 0.001°
• γ: 68.595 ± 0.002°
• Cell volume: 9245 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No