Information card for entry 8102470

Structure parameters

• Formula: C6 H8 Ce N2 O7
• Calculated formula: C6 H8 Ce N2 O7
• Title of publication: Crystal structure of triaqua-(pyrazine-2,3- dicarboxylato)cerium(III), Ce(H2O)3(C6H2N2O4)
• Authors of publication: Xun Feng; Jian-She Zhao; Xin-Ge Shi; Fang Ruan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 71
• a: 5.7479 ± 0.0008 Å
• b: 10.9085 ± 0.0015 Å
• c: 15.37 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 963.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No