Information card for entry 7036104

Structure parameters

• Formula: C20 H26 Cl N2 O Ru
• Calculated formula: C20 H26 Cl N2 O Ru
• SMILES: [Ru]123456(Cl)(n7cccc7C=[N]1/C=C1\OCCC1)[c]1([cH]4[cH]3[c]2([cH]6[cH]51)C)C(C)C
• Title of publication: Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.
• Authors of publication: Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 16107 - 16118
• a: 9.5877 ± 0.0012 Å
• b: 15.183 ± 0.002 Å
• c: 13.9495 ± 0.0017 Å
• α: 90°
• β: 96.417 ± 0.009°
• γ: 90°
• Cell volume: 2017.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1047
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No