Information card for entry 7030871

Structure parameters

• Formula: C27 H30 Cl2 N4 O5 Ru
• Calculated formula: C27 H30 Cl2 N4 O5 Ru
• SMILES: [Ru]123456(Cl)([n]7c8c9[n]1cccc9c1nc([nH]c1c8ccc7)c1cccc(OC)c1)[cH]1[cH]4[c]3([cH]6[cH]5[cH]21)C.[Cl-].O.O.O.O
• Title of publication: Microwave-assisted synthesis of arene ruthenium(ii) complexes [(η(6)-RC6H5)Ru(m-MOPIP)Cl]Cl (R = -H and -CH3) as groove binder to c-myc G4 DNA.
• Authors of publication: Wu, Qiong; Chen, Tianfeng; Zhang, Zhao; Liao, Siyan; Wu, Xiaohui; Wu, Jian; Mei, Wenjie; Chen, Yanhua; Wu, Weili; Zeng, Lingli; Zheng, Wenjie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9216 - 9225
• a: 12.0937 ± 0.001 Å
• b: 7.7505 ± 0.0004 Å
• c: 30.5757 ± 0.0013 Å
• α: 90°
• β: 93.219 ± 0.006°
• γ: 90°
• Cell volume: 2861.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No