Information card for entry 4301868

Structure parameters

• Chemical name: catena-(pyrimidine-4,6-dicarboxylate)-copper(ii)
• Formula: C6 H2 Cu N2 O4
• Calculated formula: C6 H2 Cu N2 O4
• Title of publication: Thermally Induced Interconversions of Metal-Pyrimidine-4,6-dicarboxylate Polymers: A Structural, Spectroscopic, and Magnetic Study
• Authors of publication: Norberto Masciocchi; Simona Galli; Giulia Tagliabue; Angelo Sironi; Oscar Castillo; Antonio Luque; Garikoitz Beobide; Wenguo Wang; M. Angustias Romero; Elisa Barea; Jorge A. R. Navarro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3087 - 3094
• a: 5.14948 ± 0.00049 Å
• b: 6.72065 ± 0.00062 Å
• c: 10.3797 ± 0.0011 Å
• α: 86.5106 ± 0.0061°
• β: 100.13 ± 0.01°
• γ: 108.122 ± 0.0071°
• Cell volume: 336.07 ± 0.06 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 4.83
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No