Information card for entry 7030870

Structure parameters

• Formula: C26 H32 Cl2 N4 O7 Ru
• Calculated formula: C26 H32 Cl2 N4 O7 Ru
• SMILES: [Ru]123456(Cl)([n]7c8c9[n]1cccc9c1[nH]c(nc1c8ccc7)c1cccc(OC)c1)[cH]1[cH]4[cH]2[cH]3[cH]5C61.O.[Cl-].O.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: 7.6148 ± 0.001 Å
• b: 12.5489 ± 0.0018 Å
• c: 15.8363 ± 0.0018 Å
• α: 87.621 ± 0.01°
• β: 82.199 ± 0.01°
• γ: 77.59 ± 0.012°
• Cell volume: 1464.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No