Information card for entry 4082655

Structure parameters

• Formula: C36 H29 F6 N6 O4 P Ru
• Calculated formula: C36 H29 F6 N6 O4 P Ru
• SMILES: [Ru]123([n]4c(c5c1cccc5)cccc4)([n]1ccc(cc1c1[n]2ccc(C(=O)OC)c1)C(=O)OC)[n]1ccccc1N=[N]3c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cytotoxicity Studies of Cyclometallated Ruthenium(II) Compounds: New Applications for Ruthenium Dyes
• Authors of publication: Peña, Bruno; David, Amanda; Pavani, Christiane; Baptista, Mauricio S.; Pellois, Jean-Philippe; Turro, Claudia; Dunbar, Kim R.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1100
• a: 47.073 ± 0.009 Å
• b: 7.9141 ± 0.0016 Å
• c: 22.064 ± 0.004 Å
• α: 90°
• β: 104.83 ± 0.03°
• γ: 90°
• Cell volume: 7946 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No