Information card for entry 7244725

Structure parameters

• Formula: C44 H40 Cd3 N4 O16
• Calculated formula: C44 H40 Cd3 N4 O16
• Title of publication: Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation
• Authors of publication: Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.5289 ± 0.0001 Å
• b: 15.1039 ± 0.0001 Å
• c: 26.5225 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4618.4 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No