Information card for entry 2219289

Structure parameters

• Chemical name: (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^O^4^,<i>O</i>^5^)(4- oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato- κ^2^O^4^,<i>O</i>^5^)bis(1,10-phenanthroline-κ^2^N,N')gadolinium(III) dihydrate
• Formula: C34 H25 Gd N8 O10
• Calculated formula: C34 H25 Gd N8 O10
• Title of publication: (4-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^<i>O</i>^4^,<i>O</i>^5^)(4-oxido-2-oxo-1,2-dihydropyrimidin-3-ium-5-carboxylato-κ^2^<i>O</i>^4^,<i>O</i>^5^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')gadolinium(III) dihydrate
• Authors of publication: Xiong, Wei; Xing, Huihui; Su, Yan; Chen, Zilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1168 - m1169
• a: 17.158 ± 0.008 Å
• b: 14.504 ± 0.007 Å
• c: 13.197 ± 0.007 Å
• α: 90°
• β: 99.955 ± 0.005°
• γ: 90°
• Cell volume: 3235 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes