Information card for entry 2205212

Structure parameters

• Chemical name: catena-Poly[[diaqua[3-(2-pyridyl)-1H-pyrazole-κN^2^]cadmium(II)]- μ-squarato-κ^2^O:O']
• Formula: C12 H11 Cd N3 O6
• Calculated formula: C12 H11 Cd N3 O6
• Title of publication: <i>catena</i>-Poly[[diaqua[3-(2-pyridyl)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]cadmium(II)]-μ-squarato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Huo, Li-Hua; Cheng, Xiao Li; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m460 - m462
• a: 6.066 ± 0.001 Å
• b: 8.643 ± 0.002 Å
• c: 13.272 ± 0.003 Å
• α: 104.87 ± 0.03°
• β: 97.27 ± 0.03°
• γ: 93.29 ± 0.03°
• Cell volume: 664.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.024
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes