Information card for entry 4514576

Structure parameters

• Formula: C128 H80 Cd4 N32 O16
• Calculated formula: C128 H80 Cd4 N32 O16
• Title of publication: Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.
• Authors of publication: Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 20995 - 21003
• a: 18.4591 ± 0.0002 Å
• b: 20.0087 ± 0.0003 Å
• c: 21.7899 ± 0.0003 Å
• α: 82.812 ± 0.001°
• β: 82.598 ± 0.001°
• γ: 68.339 ± 0.001°
• Cell volume: 7390.98 ± 0.18 ų
• Cell temperature: 298 ± 0.1 K
• Ambient diffraction temperature: 298 ± 0.1 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: 0.0586
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No