Information card for entry 7050246

Structure parameters

• Formula: C38 H60 Cl2 N8 O8 Ru S2
• Calculated formula: C38 H60 Cl2 N8 O8 Ru S2
• SMILES: [Ru]12(Cl)(Cl)([n]3c(N=[N]1c1ccccc1)ccc(S(=O)(=O)[O-])c3)[n]1c(N=[N]2c2ccccc2)ccc(S(=O)(=O)[O-])c1.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O.O
• Title of publication: Synthesis and characterization of ruthenium(ii) complexes with the new ligand 2-phenylazopyridine-5-sulfonic acid (Hsazpy): in search for new anticancer agents
• Authors of publication: Hotze, Anna C. G.; Kooijman, Huub; Spek, Anthony L.; Haasnoot, Jaap G.; Reedijk, Jan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 565
• a: 9.3614 ± 0.0012 Å
• b: 9.8737 ± 0.0012 Å
• c: 24.449 ± 0.004 Å
• α: 90°
• β: 90.81 ± 0.03°
• γ: 90°
• Cell volume: 2259.6 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No