Information card for entry 7005178

Structure parameters

• Common name: catena-((mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)-(2,2'- dipyridylamine) -zinc(ii)-water (1/4))
• Chemical name: catena-[(mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)-(2,2'-dipyridylamine) -zinc(II)-water (1/4)]
• Formula: C16 H19 Cu N5 O8
• Calculated formula: C16 H19 Cu N5 O8
• Title of publication: Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction.
• Authors of publication: Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P; Román, Pascual
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 25
• Pages of publication: 2669 - 2680
• a: 9.928 ± 0.001 Å
• b: 16.232 ± 0.001 Å
• c: 13.412 ± 0.001 Å
• α: 90°
• β: 115.14 ± 0.01°
• γ: 90°
• Cell volume: 1956.6 ± 0.3 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: 0.0663
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No