Information card for entry 7115973

Structure parameters

• Common name: ε-[CuF2(H2O)2(pyz)]
• Formula: C4 Cu D8 F2 N2 O2
• Calculated formula: C4 Cu D8 F2 N2 O2
• Title of publication: New magnetic frameworks of [(CuF2(H2O)2)x(pyz)]
• Authors of publication: A. Lanza; C. Fiolka; M. Fisch; N. Casati; M. Skoulatos; C. Ruegg; K. W. Kramer; Piero Macchi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14504
• a: 4.9115 ± 0.0009 Å
• b: 5.4216 ± 0.0009 Å
• c: 6.187 ± 0.004 Å
• α: 99.8 ± 0.03°
• β: 105.24 ± 0.04°
• γ: 92.078 ± 0.013°
• Cell volume: 156.07 ± 0.11 ų
• Cell temperature: 297.5 ± 0.4 K
• Ambient diffraction temperature: 297.5 ± 0.4 K
• Ambient diffracton pressure: 3300000 kPa
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No