Information card for entry 1561253

Structure parameters

• Formula: C10 H6 Cu N4 O4 S
• Calculated formula: C10 H6 Cu N4 O4 S
• Title of publication: Structures and properties of two coordination polymers constructed by the semirigid bi-functional 5-((1-methyl-1H-tetrazol-5-yl)thio)isophthalic acid ligand
• Authors of publication: Xu, Ning; Li, Yanyan; Cheng, Qian; Zhang, Guoan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 453 - 459
• a: 8.0135 ± 0.0003 Å
• b: 10.656 ± 0.0005 Å
• c: 14.5494 ± 0.0006 Å
• α: 90°
• β: 93.145 ± 0.001°
• γ: 90°
• Cell volume: 1240.53 ± 0.09 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: 0.0307
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No