Information card for entry 4088128

Structure parameters

• Formula: C23 H26 Cl N3 O2 Ru S
• Calculated formula: C23 H26 Cl N3 O2 Ru S
• SMILES: [Ru]123456([N](=Nc7ccccc7)c7c(cccc7)N1S(=O)(=O)C)(Cl)[c]1([cH]3[cH]2[c]6([cH]5[cH]41)C)C(C)C
• Title of publication: Photoswitchable Arene Ruthenium Complexes Containing o-Sulfonamide Azobenzene Ligands
• Authors of publication: Deo, Claire; Bogliotti, Nicolas; Métivier, Rémi; Retailleau, Pascal; Xie, Juan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5775
• a: 7.838 ± 0.001 Å
• b: 14.515 ± 0.002 Å
• c: 10.514 ± 0.002 Å
• α: 90°
• β: 107.603 ± 0.004°
• γ: 90°
• Cell volume: 1140.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No