Information card for entry 7246012

Structure parameters

• Formula: C7 H7 Cu0.5 N2 O5
• Calculated formula: C7 H7 Cu0.5 N2 O5
• Title of publication: Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions
• Authors of publication: Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 1479 - 1485
• a: 5.0894 ± 0.0003 Å
• b: 7.1344 ± 0.0003 Å
• c: 11.405 ± 0.0004 Å
• α: 86.127 ± 0.003°
• β: 77.266 ± 0.004°
• γ: 81.424 ± 0.004°
• Cell volume: 399.15 ± 0.03 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0393
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No