Information card for entry 4342741

Structure parameters

• Formula: C24 H24 Cu2 N4 O16 P3 V
• Calculated formula: C24 H22 Cu2 N4 O16 P3 V
• Title of publication: 1D Magnetic Interactions in Cu(II) Oxovanadium Phosphates (VPO), Magnetic Susceptibility, DFT, and Single-Crystal EPR.
• Authors of publication: Venegas-Yazigi, Diego; Spodine, Evgenia; Saldias, Marianela; Vega, Andrés; Paredes-García, Verónica; Calvo, Rafael; Santana, Ricardo Costa de
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3805 - 3814
• a: 10.0539 ± 0.001 Å
• b: 12.7624 ± 0.0012 Å
• c: 22.749 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2919 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No