Information card for entry 7702517

Structure parameters

• Formula: C20 H15 Cd N5 O6 S2
• Calculated formula: C20 H15 Cd N5 O6 S2
• 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: 7.305 ± 0.005 Å
• b: 11.625 ± 0.005 Å
• c: 14.837 ± 0.005 Å
• α: 109.05 ± 0.05°
• β: 102.49 ± 0.05°
• γ: 94.14 ± 0.05°
• Cell volume: 1148.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No