Information card for entry 7059198

Structure parameters

• Formula: C13 H18 Cu2 N4 O8
• Calculated formula: C13 H18 Cu2 N4 O8
• Title of publication: Dinuclear copper(ii) complexes containing oxamate and blocking ligands: crystal structure, magnetic properties, and DFT calculations
• Authors of publication: Simões, Tatiana R. G.; do Pim, Walace D.; Metz, Karina C.; Ribeiro, Marcos A.; Valente, Daniel C. A.; Cardozo, Thiago M.; Pinheiro, Carlos B.; Pedroso, Emerson F.; Horta, Bruno A. C.; Pereira, Cynthia L. M.; de Souza, Gilmar P.; Stumpf, Humberto O.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 6
• Pages of publication: 2597 - 2608
• a: 6.9426 ± 0.0005 Å
• b: 10.4944 ± 0.0007 Å
• c: 11.9846 ± 0.0008 Å
• α: 76.242 ± 0.005°
• β: 88.366 ± 0.006°
• γ: 73.715 ± 0.006°
• Cell volume: 813.42 ± 0.1 ų
• Cell temperature: 270.05 ± 0.1 K
• Ambient diffraction temperature: 270.05 ± 0.1 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: 0.0523
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No