Information card for entry 2217701

Structure parameters

• Chemical name: (6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato- κ^2^<i>O</i>^5^,<i>O</i>^6^)(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>')erbium(III) dihydrate
• Formula: C34 H25 Er N8 O10
• Calculated formula: C34 H25 Er N8 O10
• Title of publication: (6-Oxido-2-oxo-1,2-dihydropyrimidine-5-carboxylato-κ^2^<i>O</i>^5^,<i>O</i>^6^)(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>')erbium(III) dihydrate
• Authors of publication: Xing, Hui-Hui; Chen, Zi-Lu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m418 - m418
• a: 17.1602 ± 0.0007 Å
• b: 14.417 ± 0.0006 Å
• c: 13.2433 ± 0.0005 Å
• α: 90°
• β: 101.159 ± 0.001°
• γ: 90°
• Cell volume: 3214.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes