Information card for entry 7716271

Structure parameters

• Formula: C13.05 H15.05 Ca2 N O12
• Calculated formula: C13.05 H15.05 Ca2 N O12
• Title of publication: Construction of a series of pH stable Ca-based MOFs, their CO2 adsorption and catalytic activity
• Authors of publication: Bhattacharjee, Sudip; Chakraborty, Tonmoy; Banerjee, Soumadip; Das, Abhijit K.; Bhaumik, Asim
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.2135 ± 0.0019 Å
• b: 10.112 ± 0.002 Å
• c: 10.455 ± 0.002 Å
• α: 96.156 ± 0.008°
• β: 98.994 ± 0.007°
• γ: 113.548 ± 0.007°
• Cell volume: 866.3 ± 0.3 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166.52 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: 0.0423
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No