Information card for entry 7060392

Structure parameters

• Formula: C32 H58 Cu2 N8 O23 V4
• Calculated formula: C32 H58 Cu2 N8 O23 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: 11.9013 ± 0.0003 Å
• b: 12.1828 ± 0.0002 Å
• c: 18.226 ± 0.0003 Å
• α: 98.0718 ± 0.0016°
• β: 108.631 ± 0.0019°
• γ: 92.8695 ± 0.0018°
• Cell volume: 2466.59 ± 0.09 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: 0.0677
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No