Information card for entry 7704593

Structure parameters

• Formula: C44 H31 F9 N5 P Ru
• Calculated formula: C44 H31 F9 N5 P Ru
• SMILES: [Ru]1234([n]5c(c6c4cccc6)cccc5c4[n]1cccc4)[n]1c(cccc1)c1[n]2c(c2[n]3cccc2)cc(c1)c1c(F)cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-].c1ccc(cc1)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: 12.4892 ± 0.0005 Å
• b: 9.01 ± 0.0003 Å
• c: 17.9682 ± 0.0008 Å
• α: 90°
• β: 105.056 ± 0.004°
• γ: 90°
• Cell volume: 1952.51 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No