Information card for entry 2238086

Structure parameters

• Chemical name: Poly[[aqua{μ~4~-2-[(carboxymethyl)sulfanyl]nicotinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''}copper(II)] trihydrate]
• Formula: C8 H13 Cu N O8 S
• Calculated formula: C8 H13 Cu N O8 S
• Title of publication: Poly[[aqua{μ~4~-2-[(carboxymethyl)sulfanyl]nicotinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''}copper(II)] trihydrate]
• Authors of publication: Li, Wei-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: m268
• a: 9.94 ± 0.007 Å
• b: 16.639 ± 0.009 Å
• c: 7.876 ± 0.004 Å
• α: 90°
• β: 96.28 ± 0.05°
• γ: 90°
• Cell volume: 1294.8 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes