Information card for entry 7034401

Structure parameters

• Formula: C27 H30 Cl2 N2 O0 Ru
• Calculated formula: C27 H30 Cl2 N2 Ru
• SMILES: [Ru]12345(=C6N(C=CN6Cc6ccccc6)Cc6ccccc6)([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C)(Cl)Cl
• Title of publication: Lipophilicity-dependent ruthenium N-heterocyclic carbene complexes as potential anticancer agents.
• Authors of publication: Lv, Gaochao; Guo, Liubin; Qiu, Ling; Yang, Hui; Wang, Tengfei; Liu, Hong; Lin, Jianguo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7324 - 7331
• a: 12.18 ± 0.003 Å
• b: 16.92 ± 0.004 Å
• c: 12.171 ± 0.003 Å
• α: 90°
• β: 102.072 ± 0.003°
• γ: 90°
• Cell volume: 2452.8 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No