Information card for entry 4088785

Structure parameters

• Formula: C50 H51 Cl2 F6 N3 O2 P2 Ru S
• Calculated formula: C50 H51 Cl2 F6 N3 O2 P2 Ru S
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(N(S(=O)(=O)c7ccc(C)cc7)c7c([N]1=Nc1ccccc1)cccc7)[c]1([c]2(C)[c]6([c]5([c]4([c]31C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Triphenylphosphine Photorelease and Induction of Catalytic Activity from Ruthenium-Arene Complexes Bearing a Photoswitchable o-Tosylamide Azobenzene Ligand
• Authors of publication: Deo, Claire; Bogliotti, Nicolas; Retailleau, Pascal; Xie, Juan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2694
• a: 10.4176 ± 0.0007 Å
• b: 12.974 ± 0.0009 Å
• c: 19.5787 ± 0.0014 Å
• α: 96.783 ± 0.003°
• β: 101.973 ± 0.003°
• γ: 106.259 ± 0.003°
• Cell volume: 2441 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0871
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No