Information card for entry 7714394

Structure parameters

• Formula: C13 H13 Cl Cu N2 O4
• Calculated formula: C13 H13 Cl Cu N2 O4
• SMILES: [Cu]12([O]=C(N[N]2=Cc2c(O1)ccc(c2)C)c1occc1)Cl.O
• Title of publication: Copper(II) complexes of a furan-containing aroylhydrazonic ligand: syntheses, structural studies, solution chemistry and interaction with HSA.
• Authors of publication: Moura, Fagner da Silva; Sobrinho, Ygor S.; Stellet, Carolina; Serna, Jilder D. P.; Ligiero, Carolina B. P.; Yoguim, Maurício I; Cukierman, Daphne S.; Diniz, Renata; Alves, Odivaldo C.; Morgon, Nelson H.; de Souza, Aguinaldo R.; Rey, Nicolás A
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 12.674 ± 0.0004 Å
• b: 6.9206 ± 0.0002 Å
• c: 16.1553 ± 0.0005 Å
• α: 90°
• β: 91.109 ± 0.003°
• γ: 90°
• Cell volume: 1416.74 ± 0.07 ų
• Cell temperature: 299.4 ± 0.3 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No