Information card for entry 7025452

Structure parameters

• Formula: C4 H5 Cd N3 O6
• Calculated formula: C4 H5 Cd N3 O6
• Title of publication: Synthesis and characterisation of Mn(II), Co(II) and Cd(II) coordination polymers of 1,2,4-triazole-3, 5-dicarboxylic acid.
• Authors of publication: Ma, Qi; Zhu, Miaoli; Lu, Liping; Feng, Sisi; Wang, Tianwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5877 - 5884
• a: 7.345 ± 0.003 Å
• b: 10.222 ± 0.004 Å
• c: 10.635 ± 0.004 Å
• α: 90°
• β: 94.502 ± 0.004°
• γ: 90°
• Cell volume: 796 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.585
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No