Information card for entry 7033138

Structure parameters

• Formula: C35 H32 F6 N5 P Ru S
• Calculated formula: C35 H32 F6 N5 P Ru S
• SMILES: [Ru]123([n]4ccccc4c4c1cc(cc4)SC(C)(C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Sticking and patching: tuning and anchoring cyclometallated ruthenium(II) complexes.
• Authors of publication: Ertl, Cathrin D.; Ris, Daniel P.; Meier, Stefan C.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1557 - 1570
• a: 9.1746 ± 0.0006 Å
• b: 13.7422 ± 0.0009 Å
• c: 13.9635 ± 0.0009 Å
• α: 77.596 ± 0.002°
• β: 75.777 ± 0.002°
• γ: 81.75 ± 0.002°
• Cell volume: 1659.04 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No