Information card for entry 4347533

Structure parameters

• Formula: C66 H70 Cl2 F14 N14 O8 P2 Ru
• Calculated formula: C66 H70 Cl2 F14 N14 O8 P2 Ru
• SMILES: [Ru]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)([n]1ccn(c1)CCCOc1c(OC)cc2ncnc(Nc3cc(Cl)c(F)cc3)c2c1)[n]1ccn(c1)CCCOc1cc2c(ncnc2cc1OC)Nc1ccc(F)c(Cl)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC.OC.OC.OC
• Title of publication: Synthesis, Characterization, and in Vitro Antitumor Activity of Ruthenium(II) Polypyridyl Complexes Tethering EGFR-Inhibiting 4-Anilinoquinazolines.
• Authors of publication: Du, Jun; Kang, Yan; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Wang, Yuanyuan; Luo, Qun; Wu, Kui; Wang, Fuyi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4595 - 4605
• a: 10.7727 ± 0.0014 Å
• b: 15.957 ± 0.002 Å
• c: 22.198 ± 0.003 Å
• α: 104.432 ± 0.002°
• β: 103.301 ± 0.002°
• γ: 93.023 ± 0.002°
• Cell volume: 3571.7 ± 0.8 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No