Information card for entry 1517708

Structure parameters

• Formula: C51 H45.96 Cl0.04 N2 O7 P2 Ru
• Calculated formula: C51 H43.962 Cl0.038 N2 O7 P2 Ru
• SMILES: [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([n]2cc(ccc2c2[n]1cc(cc2)C(=O)[O-])C(=O)O)C#[O].OCC.O
• Title of publication: Ruthenium(II) complexes of 2,2'-bipyridine-5,5'-dicarboxylic acid: Synthesis, structure, DNA binding, cytotoxicity and antioxidant activity
• Authors of publication: Thangavel Sathiya Kamatchi; Nataraj Chitrapriya; V.S. Jamal Ahamed; Surk-Sik Moon; Frank R. Fronczek; Karuppannan Natarajan
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 58 - 67
• a: 11.7251 ± 0.001 Å
• b: 16.2997 ± 0.0015 Å
• c: 23.166 ± 0.002 Å
• α: 90°
• β: 92.732 ± 0.005°
• γ: 90°
• Cell volume: 4422.4 ± 0.7 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No