Information card for entry 7224118

Structure parameters

• Formula: C42 H22 N6 O10 Zn2
• Calculated formula: C42 H22 N6 O10 Zn2
• Title of publication: Synthesis, structure, and properties of a 3D porous Zn(II) MOF constructed from a terpyridine-based ligand
• Authors of publication: Wang, Wen; Xiao, Zhenyu; Lin, Huan; Wang, Rongming; Zhang, Liangliang; Sun, Daofeng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.7284 ± 0.0003 Å
• b: 20.8912 ± 0.0005 Å
• c: 28.9741 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10125.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.2317
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No