Information card for entry 4340133

Structure parameters

• Formula: C51 H33 N6 O8 Zn2
• Calculated formula: C51 H33 N6 O8 Zn2
• 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: 18.3859 ± 0.0011 Å
• b: 28.9574 ± 0.0018 Å
• c: 18.3999 ± 0.0012 Å
• α: 90°
• β: 114.54 ± 0.001°
• γ: 90°
• Cell volume: 8911.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No