Information card for entry 1560272

Structure parameters

• Formula: C10 H8 Cl6 N8 O2 Ru2
• Calculated formula: C10 H8 Cl6 N8 O2 Ru2
• SMILES: C1NC(=O)c2c3[N]=1[Ru]145([Cl][Ru]1([n]3c[nH]2)(Cl)(Cl)([N]1=CNC(=O)c2c1[n]4c[nH]2)[Cl]5)(Cl)Cl
• 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: 7.1611 ± 0.0004 Å
• b: 10.7203 ± 0.0006 Å
• c: 11.6662 ± 0.0007 Å
• α: 90°
• β: 90.805 ± 0.002°
• γ: 90°
• Cell volume: 895.52 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No