Information card for entry 7060390

Structure parameters

• Formula: C28 H36 Cu2 N6 O16 V2
• Calculated formula: C28 H36 Cu2 N6 O16 V2
• Title of publication: Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes
• Authors of publication: Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 5081 - 5092
• a: 11.9249 ± 0.0004 Å
• b: 13.2626 ± 0.0004 Å
• c: 13.5191 ± 0.0004 Å
• α: 109.108 ± 0.003°
• β: 95.685 ± 0.003°
• γ: 113.173 ± 0.003°
• Cell volume: 1792.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No