Information card for entry 7057585

Structure parameters

• Formula: C28 H25 N3 O6 Zn
• Calculated formula: C25 H18 N2 O5 Zn
• Title of publication: Fabrication of amine and imine-functionalized isoreticular pillared-layer metal‒organic frameworks for the highly selective detection of nitro-aromatics
• Authors of publication: Tarasi, Somayeh; Azhdari Tehrani, Alireza; Morsali, Ali; Retailleau, Pascal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 14772
• a: 14.6564 ± 0.0009 Å
• b: 25.3323 ± 0.001 Å
• c: 15.943 ± 0.0008 Å
• α: 90°
• β: 109.865 ± 0.006°
• γ: 90°
• Cell volume: 5567.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No