Information card for entry 1560691

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: 8.7377 ± 0.0007 Å
• b: 10.5776 ± 0.0012 Å
• c: 12.8766 ± 0.001 Å
• α: 90°
• β: 109.733 ± 0.006°
• γ: 90°
• Cell volume: 1120.22 ± 0.18 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: 0.0296
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No