Information card for entry 4305659

Structure parameters

• Formula: C10 H6 Cu N4 O4
• Calculated formula: C10 H6 Cu N4 O4
• SMILES: [Cu]12(OC(=O)c3[n]1cccn3)[n]1c(C(=O)O2)nccc1
• Title of publication: Anion Influence on the Structure and Magnetic Properties of a Series of Multidimensional Pyrimidine-2-carboxylato-Bridged Copper(II) Complexes
• Authors of publication: José Suárez-Varela; Antonio J. Mota; Hakima Aouryaghal; Joan Cano; A. Rodríguez-Diéguez; Dominique Luneau; Enrique Colacio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8143 - 8158
• a: 5.1422 ± 0.0005 Å
• b: 13.2586 ± 0.0011 Å
• c: 7.6747 ± 0.0007 Å
• α: 90°
• β: 93.961 ± 0.002°
• γ: 90°
• Cell volume: 522 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No