Information card for entry 7036102

Structure parameters

• Formula: C19 H31 Cl N2 Ru
• Calculated formula: C19 H29 Cl N2 Ru
• SMILES: [Ru]123456(Cl)(n7cccc7C[NH]1C(C)(C)C)[cH]1[c]2([cH]3[cH]4[c]5([cH]61)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: 9.8435 ± 0.0018 Å
• b: 18.184 ± 0.004 Å
• c: 11.679 ± 0.003 Å
• α: 90°
• β: 112.412 ± 0.014°
• γ: 90°
• Cell volume: 1932.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1183
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No