Information card for entry 7715859

Structure parameters

• Formula: C12 H6 Cd N4 O8
• Calculated formula: C12 H6 Cd N4 O8
• Title of publication: Modulating anti-inflammatory and anticancer properties by designing a family of metal-complexes based on 5-nitropicolinic acid
• Authors of publication: García-García, Amalia; Medina-O'Donnell, Marta; Rojas, Sara; Cano-Merenilla, Mariola; Morales, Juan; Quesada-Moreno, María Mar; Sainz, J.; Vitorica Yrezabal, Iñigo J.; Rodríguez Diéguez, Antonio; Navarro, Amparo; Reyes-Zurita, Fernando J
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.5242 ± 0.0009 Å
• b: 5.4425 ± 0.0004 Å
• c: 12.4602 ± 0.0013 Å
• α: 90°
• β: 107.135 ± 0.003°
• γ: 90°
• Cell volume: 682.02 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No