Information card for entry 1563176

Structure parameters

• Formula: C6 H6.67 Cu N2 O4.33
• Calculated formula: C6 H6.66667 Cu N2 O4.33333
• Title of publication: Magnetic Switching in Vapochromic Oxalato-Bridged 2D Copper(II)-Pyrazole Compounds for Biogenic Amine Sensing
• Authors of publication: Marino, Nadia; Calatayud, María Luisa; Orts-Arroyo, Marta; Pascual-Álvarez, Alejandro; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; De Munno, Giovanni; Ruiz-García, Rafael; Castro, Isabel
• Journal of publication: Magnetochemistry
• Year of publication: 2021
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 65
• a: 9.9554 ± 0.0005 Å
• b: 9.3037 ± 0.0004 Å
• c: 25.2695 ± 0.0012 Å
• α: 90°
• β: 94.67 ± 0.003°
• γ: 90°
• Cell volume: 2332.74 ± 0.19 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No