Information card for entry 4340131

Structure parameters

• Formula: C19.5 H12.5 N3 O4 Zn
• Calculated formula: C19.5 H12.5 N3 O4 Zn
• Title of publication: Construction of non-interpenetrated charged metal-organic frameworks with doubly pillared layers: pore modification and selective gas adsorption.
• Authors of publication: Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7591 - 7598
• a: 29.177 ± 0.005 Å
• b: 10.248 ± 0.005 Å
• c: 11.658 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3486 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 28
• Hermann-Mauguin space group symbol: P m a 2
• Hall space group symbol: P 2 -2a
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No