Information card for entry 1566905

Structure parameters

• Formula: C64 H50 N30 O15 Zn6
• Calculated formula: C64 H50 N30 O15 Zn6
• Title of publication: Biomimetic mimicry of formaldehyde-induced DNA–protein crosslinks in the confined space of a metal–organic framework
• Authors of publication: Wei, Yu-Bai; Luo, Dong; Xiong, Xiao; Huang, Yong-Liang; Xie, Mo; Lu, Weigang; Li, Dan
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4813 - 4820
• a: 20.5713 ± 0.001 Å
• b: 15.332 ± 0.0004 Å
• c: 21.6572 ± 0.0008 Å
• α: 90°
• β: 96.891 ± 0.004°
• γ: 90°
• Cell volume: 6781.3 ± 0.5 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2984
• Weighted residual factors for all reflections included in the refinement: 0.3512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No