Information card for entry 4342742

Structure parameters

• Formula: C10 H8 Cu N2 O6 P V
• Calculated formula: C10 H8 Cu N2 O6 P 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: 5.5358 ± 0.0002 Å
• b: 10.2543 ± 0.0003 Å
• c: 11.7505 ± 0.0004 Å
• α: 74.431 ± 0.001°
• β: 79.871 ± 0.001°
• γ: 85.717 ± 0.002°
• Cell volume: 632.27 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No