Information card for entry 7247968

Structure parameters

• Formula: C23 H22 Cu N6 O8
• Calculated formula: C23 H22 Cu N6 O8
• Title of publication: Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units
• Authors of publication: Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 647 - 665
• a: 10.196 ± 0.005 Å
• b: 12.292 ± 0.005 Å
• c: 13.672 ± 0.005 Å
• α: 71.38 ± 0.005°
• β: 73.265 ± 0.005°
• γ: 66.095 ± 0.005°
• Cell volume: 1459.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No