Information card for entry 4509933

Structure parameters

• Formula: C20 H14 N4 O4 Zn
• Calculated formula: C20 H14 N4 O4 Zn
• Title of publication: Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks
• Authors of publication: Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 699
• a: 11.608 ± 0.003 Å
• b: 15.781 ± 0.004 Å
• c: 14.682 ± 0.004 Å
• α: 90°
• β: 90.824 ± 0.018°
• γ: 90°
• Cell volume: 2689.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1544
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No