Information card for entry 7033136

Structure parameters

• Formula: C33 H26 F6 N5 O2 P Ru
• Calculated formula: C33 H26 F6 N5 O2 P Ru
• SMILES: [Ru]123([n]4c(c5c1cccc5)cc(cc4)C(=O)OC)([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: 12.9211 ± 0.0007 Å
• b: 16.9306 ± 0.001 Å
• c: 15.0031 ± 0.0009 Å
• α: 90°
• β: 108.261 ± 0.002°
• γ: 90°
• Cell volume: 3116.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No