Information card for entry 4518760

Structure parameters

• Formula: C78 H82 Co2 N2 O38
• Calculated formula: C75 H69 Co2 N O35
• Title of publication: Macrocycle-Based Metal-Organic Frameworks with NO₂-Driven On/Off Switch of Conductivity.
• Authors of publication: Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 27066 - 27073
• a: 12.4181 ± 0.0012 Å
• b: 15.923 ± 0.0015 Å
• c: 21.1268 ± 0.0018 Å
• α: 90°
• β: 99.729 ± 0.003°
• γ: 90°
• Cell volume: 4117.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.1145
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No