Information card for entry 7044172

Structure parameters

• Formula: C127 H86 K2 N7 O18 Zn3
• Calculated formula: C127 H86 K2 N7 O18 Zn3
• Title of publication: Polycatenation tuned microporosity of two metal‒tris(4'-carboxybiphenyl)amine frameworks with multilayer structures
• Authors of publication: He, Yan-ping; Yuan, Lv-Bing; Zhang, Jian
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 21.6847 ± 0.001 Å
• b: 36.8675 ± 0.0017 Å
• c: 27.338 ± 0.002 Å
• α: 90°
• β: 98.212 ± 0.006°
• γ: 90°
• Cell volume: 21632 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.175
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No