Information card for entry 1517164

Structure parameters

• Formula: C23 H25 Cl F6 N3 O P Ru
• Calculated formula: C23 H25 Cl F6 N3 O P Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7C=[N]1c1ccc(cc1)C(=O)N)[cH]1[c]2([cH]3[cH]4[c]5([cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly.
• Authors of publication: Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2014
• Journal volume: 57
• Journal issue: 14
• Pages of publication: 6043 - 6059
• a: 9.887 ± 0.002 Å
• b: 18.473 ± 0.004 Å
• c: 14.002 ± 0.003 Å
• α: 90°
• β: 104.589 ± 0.003°
• γ: 90°
• Cell volume: 2474.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0823
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No