Information card for entry 4514578

Structure parameters

• Formula: C64 H40 Cd2 N16 O8
• Calculated formula: C64 H40 Cd2 N16 O8
• 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: 14.8086 ± 0.0004 Å
• b: 15.9794 ± 0.0005 Å
• c: 18.2659 ± 0.0003 Å
• α: 101.054 ± 0.002°
• β: 111.35 ± 0.002°
• γ: 90.981 ± 0.002°
• Cell volume: 3933.09 ± 0.19 ų
• Cell temperature: 298.33 ± 0.1 K
• Ambient diffraction temperature: 298.33 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No