Information card for entry 7060391

Structure parameters

• Formula: C34 H52 Cu2 N8 O22 V4
• Calculated formula: C34 H52 Cu2 N8 O22 V4
• 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: 8.9373 ± 0.0003 Å
• b: 11.4902 ± 0.0004 Å
• c: 12.958 ± 0.0004 Å
• α: 70.47 ± 0.003°
• β: 73.209 ± 0.003°
• γ: 80.836 ± 0.003°
• Cell volume: 1197.75 ± 0.07 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: 0.0726
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No