Information card for entry 4088787

Structure parameters

• Formula: C34 H43 F6 N3 O5 P2 Ru S
• Calculated formula: C34 H43 F6 N3 O5 P2 Ru S
• SMILES: [Ru]123456(N(S(=O)(=O)c7ccc(C)cc7)c7ccccc7N=[N]1c1ccccc1)([P](OC)(OC)OC)[c]1([c]2([c]4([c]6([c]3([c]51C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.0564 ± 0.0007 Å
• b: 19.881 ± 0.0014 Å
• c: 20.2967 ± 0.0015 Å
• α: 90°
• β: 94.357 ± 0.003°
• γ: 90°
• Cell volume: 3643.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No