Information card for entry 1561521

Structure parameters

• Formula: C76 H72 K2 N8 O36 Zn5
• Calculated formula: C76 H72 K2 N8 O36 Zn5
• Title of publication: Positional isomerism-driven two 3D pillar-layered metal-organic frameworks: Syntheses, topological structures and photoluminescence properties
• Authors of publication: Sun, Yayong; Zhao, Siwei; Ma, Haoran; Han, Yi; Liu, Kang; Wang, Lei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 238
• Pages of publication: 284 - 290
• a: 37.786 ± 0.0014 Å
• b: 12.9841 ± 0.0002 Å
• c: 16.591 ± 0.0006 Å
• α: 90°
• β: 104.732 ± 0.003°
• γ: 90°
• Cell volume: 7872.2 ± 0.4 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: 0.0363
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No