Information card for entry 7061323

Structure parameters

• Formula: C8 H9 Fe N O6
• Calculated formula: C8 H9 Fe N O6
• Title of publication: Electrochemical activation of CO2 by MOF-(Fe, Ni, Mn) derivatives of 5-aminoisophthalic acid and the thiazole group influence on its catalytic activity
• Authors of publication: Robles-Marín, Elvis; Flores-Alamo, Marcos; Garcia, Juventino J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 6060 - 6067
• a: 7.394 ± 0.003 Å
• b: 8.345 ± 0.003 Å
• c: 8.843 ± 0.004 Å
• α: 62.78 ± 0.04°
• β: 71.92 ± 0.03°
• γ: 80.61 ± 0.03°
• Cell volume: 461.1 ± 0.4 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No