Information card for entry 7247972

Structure parameters

• Formula: C35 H22 Cu2 N8 O8
• Calculated formula: C35 H22 Cu2 N8 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: 9.2705 ± 0.0004 Å
• b: 10.1686 ± 0.0005 Å
• c: 20.8317 ± 0.0012 Å
• α: 81.868 ± 0.004°
• β: 82.682 ± 0.004°
• γ: 86.369 ± 0.004°
• Cell volume: 1926.13 ± 0.17 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: 0.0824
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No