Information card for entry 7221645

Structure parameters

• Formula: C20 H18 Cu6 I4 N8 O11
• Calculated formula: C20 H18 Cu6 I4 N8 O11
• Title of publication: A versatile CuII/CuImetal‒organic framework for selective sorption and heterogeneous catalysis
• Authors of publication: Ding, Yu-Jia; Zhang, Chun-Pei; Wang, Yong-Qing; Lin, Xiao-Ming; Zhu, Ximiao; Zhang, Da-Liang; Duan, Xian-Jian; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 35
• Pages of publication: 6693
• a: 7.6681 ± 0.0008 Å
• b: 31.909 ± 0.003 Å
• c: 15.4268 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3774.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No