Information card for entry 2210497

Structure parameters

• Chemical name: catena-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]
• Formula: C6 H8 Cd N2 O7
• Calculated formula: C6 H8 Cd N2 O7
• SMILES: [Cd]12([n]3ccnc(c3C(=O)O1)C(=O)[O-])([OH2])([OH2])([OH2])[O]=C(c1c3C(=O)O[Cd]([n]3ccn1)([OH2])([OH2])[OH2])O2
• Title of publication: <i>catena</i>-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]
• Authors of publication: Ma, Yi; He, Yong-Ke; Han, Zheng-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2528 - m2529
• a: 5.7365 ± 0.0012 Å
• b: 10.903 ± 0.003 Å
• c: 15.362 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 960.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes