Information card for entry 7716268

Structure parameters

• Formula: C13 H17 Ca N O6
• Calculated formula: C13 H17 Ca N O6
• 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 (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 11120 - 11132
• a: 6.7506 ± 0.0013 Å
• b: 10.564 ± 0.002 Å
• c: 10.746 ± 0.002 Å
• α: 77.01 ± 0.007°
• β: 82.594 ± 0.006°
• γ: 81.892 ± 0.006°
• Cell volume: 735.5 ± 0.2 ų
• Cell temperature: 145 K
• Ambient diffraction temperature: 145 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: 0.0755
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No