Information card for entry 2207371

Structure parameters

• Chemical name: Poly[hexaaquatris(μ~3~-3-carboxypyrazole-5-carboxylato)(3-carboxypyrazole- 5-carboxylato-κO)(μ~2~-pyrazole-3,5-dicarboxylato)dicerium]
• Formula: C25 H26 Ce2 N10 O26
• Calculated formula: C25 H26 Ce2 N10 O26
• Title of publication: Poly[hexaaquatris(μ~3~-3-carboxypyrazole-5-carboxylato)(3-carboxypyrazole-5-carboxylato-κ<i>O</i>)(μ~2~-pyrazole-3,5-dicarboxylato)dicerium(III)]
• Authors of publication: Xin-Hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2329 - m2331
• a: 19.2347 ± 0.0016 Å
• b: 13.2563 ± 0.0011 Å
• c: 16.7559 ± 0.0015 Å
• α: 90°
• β: 123.909 ± 0.001°
• γ: 90°
• Cell volume: 3545.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes