Information card for entry 7245073

Structure parameters

• Formula: C29 H12 Co2 N O12
• Calculated formula: C29 H12 Co2 N O12
• Title of publication: Construction of two novel non-penetrating Co-MOFs derived from designed 2,4,6-tri(2,4-dicarboxyphenyl) pyridine: synthesis, structure and gas adsorption properties
• Authors of publication: Ding, Tao; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Shi, Lan-Ting; Gong, Xue-Song; Gao, Ziwei
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 48.277 ± 0.009 Å
• b: 48.277 ± 0.009 Å
• c: 13.116 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26474 ± 9 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2387
• Weighted residual factors for all reflections included in the refinement: 0.2695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No