Information card for entry 1560273

Structure parameters

• Formula: C10 H12 Cl6 N8 O4 Ru2
• Calculated formula: C10 H12 Cl6 N8 O4 Ru2
• SMILES: C1NC(=O)c2c3[N]=1[Ru]145(Cl)(Cl)[n]6c7c(C(=O)NC=[N]7[Ru]5([n]3c[nH]2)(Cl)(Cl)([Cl]1)[Cl]4)[nH]c6.O.O
• Title of publication: Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.
• Authors of publication: Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José
• Journal of publication: Biosensors
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 19
• a: 8.7139 ± 0.0006 Å
• b: 11.8652 ± 0.0009 Å
• c: 10.2858 ± 0.0008 Å
• α: 90°
• β: 112.318 ± 0.002°
• γ: 90°
• Cell volume: 983.81 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No