Information card for entry 7061324

Structure parameters

• Formula: C12 H8 Mn N2 O4 S
• Calculated formula: C12 H8 Mn N2 O4 S
• 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: 8.761 ± 0.001 Å
• b: 10.3491 ± 0.0014 Å
• c: 14.86 ± 0.002 Å
• α: 90°
• β: 91.067 ± 0.013°
• γ: 90°
• Cell volume: 1347.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No