Information card for entry 1560690

Structure parameters

• Formula: C8 H6 Cu N2 O5 S2
• Calculated formula: C8 H6 Cu N2 O5 S2
• Title of publication: Copper coordination polymers constructed from thiazole-5-carboxylic acid: Synthesis, crystal structures, and structural transformation
• Authors of publication: Meundaeng, Natthaya; Rujiwatra, Apinpus; Prior, Timothy J.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 138 - 145
• a: 8.709 ± 0.0009 Å
• b: 10.5806 ± 0.0006 Å
• c: 12.8577 ± 0.0011 Å
• α: 90°
• β: 109.543 ± 0.007°
• γ: 90°
• Cell volume: 1116.54 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No