Information card for entry 7115974

Structure parameters

• Formula: C2 Cu D6 F2 N O2
• Calculated formula: C2 Cu D6 F2 N 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: 21.1341 ± 0.0004 Å
• b: 7.553 ± 0.0001 Å
• c: 6.881 ± 0.0001 Å
• α: 90°
• β: 100.331 ± 0.002°
• γ: 90°
• Cell volume: 1080.58 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0654
• 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