Information card for entry 7704592

Structure parameters

• Formula: C39 H28 F7 N6 P Ru
• Calculated formula: C39 H28 F7 N6 P Ru
• SMILES: [Ru]1234([n]5c(c6c4cccc6)cccc5c4[n]1cccc4)[n]1ccccc1c1[n]2c(c2[n]3cccc2)cc(c1)c1ccc(F)cc1.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 8.7662 ± 0.0002 Å
• b: 18.5608 ± 0.0004 Å
• c: 21.9662 ± 0.0005 Å
• α: 90°
• β: 99.627 ± 0.002°
• γ: 90°
• Cell volume: 3523.74 ± 0.14 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No