Information card for entry 7245426

Structure parameters

• Formula: C9 H9 Cu N2 O7
• Calculated formula: C9 H9 Cu N2 O7
• Title of publication: On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
• Authors of publication: Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.1997 ± 0.0008 Å
• b: 8.2594 ± 0.0008 Å
• c: 9.3849 ± 0.0009 Å
• α: 83.57 ± 0.001°
• β: 74.962 ± 0.001°
• γ: 64.832 ± 0.001°
• Cell volume: 555.55 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No