Information card for entry 7241249

Structure parameters

• Formula: C8 H10 Cu N4 O8
• Calculated formula: C8 H10 Cu N4 O8
• Title of publication: Synthesis, structure and photocatalytic properties of coordination polymers based on pyrazole carboxylic acid ligand
• Authors of publication: Lin, Chen-Lan; Chen, Yan-Fei; Qiu, Li-Jun; Zhu, Binglong; Wang, Xin; Luo, Shi-Peng; shi, wenyan; Yang, Ting-Hai; Lei, Wu
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 5.4281 ± 0.0008 Å
• b: 12.4749 ± 0.0018 Å
• c: 9.1341 ± 0.0014 Å
• α: 90°
• β: 98.476 ± 0.003°
• γ: 90°
• Cell volume: 611.76 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No