Information card for entry 2228702

Structure parameters

• Chemical name: (η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine- κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate
• Formula: C21 H23 Cl F6 N P Ru S
• Calculated formula: C21 H23 Cl F6 N P Ru S
• SMILES: [Ru]123456(Cl)([S](c7c(c8[n]1cccc8)cccc7)C(C)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (η^6^-Benzene){2-[2-(<i>tert</i>-butylsulfanyl)phenyl]pyridine-κ^2^<i>N</i>,<i>S</i>}chloridoruthenium(II) hexafluoridophosphate
• Authors of publication: Hirotsu, Masakazu; Yogi, Akira; Kinoshita, Isamu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m63
• a: 16.638 ± 0.004 Å
• b: 10.5589 ± 0.0019 Å
• c: 14.327 ± 0.003 Å
• α: 90°
• β: 110.758 ± 0.004°
• γ: 90°
• Cell volume: 2353.6 ± 0.9 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes