Information card for entry 7241248

Structure parameters

• Formula: C7 H11 Cd N3 O5
• Calculated formula: C7 H11 Cd N3 O5
• 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: 11.2775 ± 0.0016 Å
• b: 10.9894 ± 0.0016 Å
• c: 8.5532 ± 0.0012 Å
• α: 90°
• β: 92.916 ± 0.002°
• γ: 90°
• Cell volume: 1058.7 ± 0.3 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: 0.0244
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No