Information card for entry 7241247

Structure parameters

• Formula: C4 H8 Mn N2 O6
• Calculated formula: C4 H8 Mn N2 O6
• 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: 18.5851 ± 0.0015 Å
• b: 10.793 ± 0.0009 Å
• c: 8.4692 ± 0.0007 Å
• α: 90°
• β: 109.727 ± 0.0015°
• γ: 90°
• Cell volume: 1599.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No