Information card for entry 4305577

Structure parameters

• Formula: C41 H55 Cl2 N13 O13 Ru
• Calculated formula: C41 H55 Cl2 N13 O13 Ru
• SMILES: c12cccc3[n]2[Ru]([N](=C1)c1c(cc(cc1C)C)C)([n]1cn(CC)c2nc([nH]c(=O)c12)N)([OH2])([N](=C3)c1c(cc(cc1C)C)C)[n]1c2c(nc([nH]c2=O)N)n(c1)CC.[O-]Cl(=O)(=O)=O.OC.[O-]Cl(=O)(=O)=O.OC
• Title of publication: Ruthenium(III) Chloride Complex with a Tridentate Bis(arylimino)pyridine Ligand: Synthesis, Spectra, X-ray Structure, 9-Ethylguanine Binding Pattern, and In Vitro Cytotoxicity
• Authors of publication: Ariadna Garza-Ortiz; Palanisamy Uma Maheswari; Maxime Siegler; Anthony L. Spek; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6964 - 6973
• a: 25.235 ± 0.0001 Å
• b: 30.842 ± 0.0002 Å
• c: 12.2446 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9529.95 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No