Information card for entry 7059762

Structure parameters

• Formula: C47 H29 N4 O8 Zn2
• Calculated formula: C47 H29 N4 O8 Zn2
• Title of publication: Two anthracene chromophore based metal‒organic frameworks for gas adsorption and promising nitro aromatic sensing
• Authors of publication: Hu, Xiao-Li; Wang, Kang; Li, Xiao; Pan, Qing-Qing; Su, Zhong-Min
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 12496 - 12502
• a: 9.797 ± 0.004 Å
• b: 15.252 ± 0.006 Å
• c: 16.948 ± 0.007 Å
• α: 75.387 ± 0.007°
• β: 73.275 ± 0.007°
• γ: 85.17 ± 0.007°
• Cell volume: 2346.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No