Information card for entry 7036522

Structure parameters

• Formula: C23.5 H30 Cl2 N2 O3 Ru S
• Calculated formula: C23.5 H30 Cl2 N2 O3 Ru S
• SMILES: [Ru]123456(Cl)([c]7([cH]5[cH]4[c]3([cH]2[cH]17)C(C)C)C)=C1N(C=CN1CS(=O)(=O)O6)c1c(cc(cc1C)C)C.C(Cl)Cl
• Title of publication: Ruthenium(ii) and iridium(iii) complexes featuring NHC-sulfonate chelate.
• Authors of publication: Rajaraman, A.; Sahoo, A. R.; Hild, F.; Fischmeister, C.; Achard, M.; Bruneau, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17467 - 17472
• a: 13.1459 ± 0.0007 Å
• b: 13.5527 ± 0.0007 Å
• c: 16.4259 ± 0.0008 Å
• α: 85.17 ± 0.002°
• β: 81.3 ± 0.002°
• γ: 74.43 ± 0.002°
• Cell volume: 2783.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No