Information card for entry 4083086

Structure parameters

• Formula: C78 H66 Cl4 N4 P4 Ru
• Calculated formula: C78 H66 Cl4 N4 P4 Ru
• SMILES: C(#Cc1ccc(c2ccccn2)nc1)[Ru]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(c3ccccn3)nc1)[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Lanthanide Sensitization with Ruthenium Carbon-Rich Complexes and Redox Commutation of Near-IR Luminescence
• Authors of publication: Norel, Lucie; Di Piazza, Emmanuel; Feng, Min; Vacher, Antoine; He, Xiaoyan; Roisnel, Thierry; Maury, Olivier; Rigaut, Stéphane
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4824
• a: 9.3922 ± 0.0006 Å
• b: 13.4491 ± 0.0009 Å
• c: 13.9372 ± 0.0009 Å
• α: 95.889 ± 0.003°
• β: 108.422 ± 0.003°
• γ: 96.071 ± 0.003°
• Cell volume: 1643.56 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No