Information card for entry 7702520

Structure parameters

• Formula: C7 H6 Cd N2 O3 S
• Calculated formula: C7 H6 Cd N2 O3 S
• Title of publication: Syntheses and crystal structures of four metal‒organic co-ordination networks constructed from cadmium(II) thiocyanate and nicotinic acid derivatives with hydrogen bonds
• Authors of publication: Yang, Guang; Zhu, Huai-Gang; Liang, Bing-Hua; Chen, Xiao-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 580
• a: 6.052 ± 0.002 Å
• b: 14.763 ± 0.008 Å
• c: 11.423 ± 0.005 Å
• α: 90°
• β: 94.26°
• γ: 90°
• Cell volume: 1017.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No