Information card for entry 7056726

Structure parameters

• Formula: C22 H18.5 Co N5.5 O6
• Calculated formula: C21 H13 Co N5 O4
• Title of publication: Two novel porous MOFs with square-shaped cavities for removing toxic dyes: adsorption or degradation?
• Authors of publication: Xu, Zhouqing; Li, Huijun; Li, Qingqing; He, Yaling; Tang, Qingjie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 10.0361 ± 0.0016 Å
• b: 10.3968 ± 0.0017 Å
• c: 11.9591 ± 0.0019 Å
• α: 81.792 ± 0.003°
• β: 67.635 ± 0.003°
• γ: 77.335 ± 0.003°
• Cell volume: 1123.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No