Information card for entry 1567239

Structure parameters

• Formula: C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2
• Calculated formula: C88 H148 Ag2 B2 F20 N24 O2 Pd4 Si2
• Title of publication: Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation
• Authors of publication: Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 13.5019 ± 0.0003 Å
• b: 14.026 ± 0.0003 Å
• c: 20.0093 ± 0.0005 Å
• α: 72.754 ± 0.002°
• β: 73.765 ± 0.002°
• γ: 80.009 ± 0.002°
• Cell volume: 3457.63 ± 0.15 ų
• Cell temperature: 105.1 ± 0.2 K
• Ambient diffraction temperature: 105.1 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No