Information card for entry 4321251

Structure parameters

• Formula: C24 H18 N6 O6 Ru
• Calculated formula: C22 H18 N8 O6 Ru
• SMILES: [Ru]12([n]3c(cccc3)N=[N]1c1ccccc1)([n]1c(cccc1)N=[N]2c1ccccc1)(ON(=O)=O)ON(=O)=O
• Title of publication: Synthesis, Characterization, and Crystal Structure of α-[Ru(azpy)2(NO3)2] (azpy = 2-(Phenylazo)pyridine) and the Products of Its Reactions with Guanine Derivatives
• Authors of publication: Anna C. G. Hotze; Aldrik H. Velders; Franco Ugozzoli; Marina Biagini-Cingi; Anna M. Manotti-Lanfredi; Jaap G. Haasnoot; Jan Reedijk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3838 - 3844
• a: 15.423 ± 0.005 Å
• b: 14.034 ± 0.005 Å
• c: 10.97 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2374.4 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.1083
• Goodness-of-fit parameter for all reflections: 0.89
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No