Information card for entry 4088130

Structure parameters

• Formula: C32 H36 Cl3 N3 O2 Ru S
• Calculated formula: C32 H36 Cl3 N3 O2 Ru S
• SMILES: [Ru]123456(Cl)([N](=Nc7ccccc7)c7c(N1S(=O)(=O)c1ccc(cc1)C)cccc7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.ClCCl
• 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: 7.973 ± 0.004 Å
• b: 22.52 ± 0.011 Å
• c: 9.158 ± 0.004 Å
• α: 90°
• β: 103.451 ± 0.008°
• γ: 90°
• Cell volume: 1599.2 ± 1.3 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: 0.1716
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No