Information card for entry 1560693

Structure parameters

• Formula: C32 H20 Cu2 N8 O10 S2
• Calculated formula: C32 H20 Cu2 N8 O10 S2
• SMILES: [Cu]1([n]2c3c(ccc2)ccc2c3[n]1ccc2)(ON(=O)=O)([n]1cc(sc1)C(=O)[O-])(ON(=O)=O)[n]1cc(sc1)C(=O)O[Cu]1([n]2c3c4[n]1cccc4ccc3ccc2)OC(=O)c1sc[n](c1)[Cu]1([n]2c3c(ccc2)ccc2c3[n]1ccc2)(ON(=O)=O)(ON(=O)=O)[n]1cc(sc1)C(=O)O[Cu]1[n]2c3c(ccc2)ccc2c3[n]1ccc2
• 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: 12.171 ± 0.0011 Å
• b: 23.252 ± 0.0019 Å
• c: 12.7039 ± 0.0011 Å
• α: 90°
• β: 116.025 ± 0.006°
• γ: 90°
• Cell volume: 3230.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No