Information card for entry 7057618

Structure parameters

• Formula: C50 H38 K N12 O14 Zn2
• Calculated formula: C49.98 H30 K N12 O14 Zn2
• Title of publication: A 3D metal‒organic framework with dual-aerial-octahedral trinucleate building units: synthesis, structure and fluorescence sensing properties
• Authors of publication: Zhao, Yan-Ning; Zhang, Shu-Ran; Wang, Wei; Xu, Yan-Hong; Che, Guang-Bo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 14648
• a: 19.63 ± 0.005 Å
• b: 19.63 ± 0.005 Å
• c: 19.63 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7564 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.3903
• Weighted residual factors for all reflections included in the refinement: 0.399
• Goodness-of-fit parameter for all reflections included in the refinement: 2.188
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No