Information card for entry 4088127

Structure parameters

• Formula: C29 H30 Cl N3 O2 Ru S
• Calculated formula: C29 H30 Cl N3 O2 Ru S
• SMILES: [Ru]123456(Cl)([N](=Nc7ccccc7)c7ccccc7N1S(=O)(=O)c1ccc(cc1)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)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: 11.302 ± 0.001 Å
• b: 17.074 ± 0.002 Å
• c: 14.883 ± 0.001 Å
• α: 90°
• β: 106.013 ± 0.002°
• γ: 90°
• Cell volume: 2760.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0582
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No