Information card for entry 2223797

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]cadmium(II)]-μ-oxalato] dihydrate]
• Formula: C10 H11 Cd N3 O6
• Calculated formula: C10 H11 Cd N3 O6
• SMILES: [Cd]12([n]3ccccc3c3cc[nH][n]13)[O]=C1C(O2)=[O][Cd]23(O1)([n]1ccccc1c1cc[nH][n]21)OC(=O)C(=O)O3.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[[3-(2-pyridyl)-1<i>H</i>-pyrazole]cadmium(II)]-μ-oxalato] dihydrate]
• Authors of publication: Zhu, Ling; An, Zhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1452
• a: 7.92 ± 0.002 Å
• b: 9.663 ± 0.002 Å
• c: 9.675 ± 0.002 Å
• α: 92.94 ± 0.004°
• β: 108.555 ± 0.003°
• γ: 106.164 ± 0.004°
• Cell volume: 666.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes