Information card for entry 7209170

Structure parameters

• Formula: C20 H12 Cd N6 O2
• Calculated formula: C20 H12 Cd N6 O2
• Title of publication: In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand
• Authors of publication: Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 365
• a: 25.919 ± 0.004 Å
• b: 9.9766 ± 0.0016 Å
• c: 17.701 ± 0.003 Å
• α: 90°
• β: 128.489 ± 0.002°
• γ: 90°
• Cell volume: 3582.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No