Information card for entry 7704596

Structure parameters

• Formula: C44 H29 F11 N5 P Ru
• Calculated formula: C44 H29 F11 N5 P Ru
• SMILES: [Ru]1234([n]5c(c6[n]1c(cc(c6)c1c(F)c(F)c(F)c(F)c1F)c1[n]2cccc1)cccc5)[n]1ccccc1c1[n]3c(c2c4cccc2)ccc1.[P](F)(F)(F)(F)(F)[F-].c1(ccccc1)C
• Title of publication: Synthesis, characterization and anticancer mechanism studies of fluorinated cyclometalated ruthenium(ii) complexes.
• Authors of publication: Wen, Ya; Ouyang, Cheng; Li, Quanwen; Rees, Thomas W.; Qiu, Kangqiang; Ji, Liangnian; Chao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7044 - 7052
• a: 27.118 ± 0.0007 Å
• b: 9.132 ± 0.0002 Å
• c: 35.8913 ± 0.0009 Å
• α: 90°
• β: 106.414 ± 0.003°
• γ: 90°
• Cell volume: 8525.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No