Information card for entry 2227062

Structure parameters

• Chemical name: Poly[aquahemi(μ~4~-oxalato)[μ~3~-5-(pyrazin-2-yl)tetrazolato]cadmium(II)]
• Formula: C6 H5 Cd N6 O3
• Calculated formula: C6 H5 Cd N6 O3
• Title of publication: Poly[aquahemi(μ~4~-oxalato)[μ~3~-5-(pyrazin-2-yl)tetrazolato]cadmium(II)]
• Authors of publication: Zhang, Chen; Wang, Ting-Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m945
• a: 5.8801 ± 0.0001 Å
• b: 13.1286 ± 0.0002 Å
• c: 11.5647 ± 0.0002 Å
• α: 90°
• β: 94.867 ± 0.001°
• γ: 90°
• Cell volume: 889.55 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes