Information card for entry 1565364

Structure parameters

• Formula: C51 H75 Cl2 Cu4 N9 O22
• Calculated formula: C51 H73 Cl2 Cu4 N9 O22
• Title of publication: Metal ion substitution and aldehyde exchange for CuII4 aggregates from two types of piperazine-based Schiff base ligands: Synthesis, X-ray structures, magnetic studies and theoretical validation
• Authors of publication: Basak, Dipmalya; Ray, Debashis
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119439
• a: 19.428 ± 0.004 Å
• b: 15.988 ± 0.004 Å
• c: 19.713 ± 0.004 Å
• α: 90°
• β: 100.409 ± 0.007°
• γ: 90°
• Cell volume: 6022 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1787
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.217
• Weighted residual factors for all reflections included in the refinement: 0.2794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No