Information card for entry 7029430

Structure parameters

• Formula: C4 H4 Cd N6 O2
• Calculated formula: C4 H4 Cd N6 O2
• Title of publication: New hybrid Cd(ii) compounds: synthesis and structural characterization.
• Authors of publication: Jia, Hong-Li; Shi, Zhan; Yang, Qing-Feng; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5806 - 5814
• a: 6.6354 ± 0.0013 Å
• b: 8.6178 ± 0.0017 Å
• c: 6.8749 ± 0.0014 Å
• α: 90°
• β: 95.16 ± 0.03°
• γ: 90°
• Cell volume: 391.53 ± 0.14 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No