Information card for entry 1566020

Structure parameters

• Formula: C20 H28 Cl4 Cu2 N4 O6
• Calculated formula: C20 H28 Cl4 Cu2 N4 O6
• SMILES: c1cccc2C3[NH]4C(CO3)(CO)C[OH][Cu]4([n]12)(Cl)Cl
• Title of publication: Homobinuclear compounds based on a chiral oxazolidine ligand: From solid state study to aqueous solution dynamics
• Authors of publication: Areas, Esther S.; Junior, Henrique C.S.; Freitas, Brunno P.; Ferreira, Glaucio B.; Guedes, Guilherme P.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120664
• a: 10.0374 ± 0.0004 Å
• b: 13.0712 ± 0.0005 Å
• c: 10.6263 ± 0.0005 Å
• α: 90°
• β: 113.494 ± 0.002°
• γ: 90°
• Cell volume: 1278.6 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0327
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No