Information card for entry 7217627

Structure parameters

• Formula: C75 H38 Cu6 N6 O36
• Calculated formula: C75 H39 Cu6 N6 O36
• Title of publication: Enhanced water stability of a microporous acylamide-functionalized metal‒organic framework via interpenetration and methyl decoration
• Authors of publication: Zheng, Baishu; Lin, Xiu; Wang, Zhaoxu; Yun, Ruirui; Fan, Yanpeng; Ding, Mingsheng; Hu, Xiaolian; Yi, Pinggui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 9586
• a: 29.627 ± 0.003 Å
• b: 29.627 ± 0.003 Å
• c: 29.627 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26005 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.1257
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.3059
• Weighted residual factors for all reflections included in the refinement: 0.3233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No