Information card for entry 4516383

Structure parameters

• Formula: C36 H26 Cd2 N2 O14.5
• Calculated formula: C36 H25 Cd2 N2 O14.5
• Title of publication: Porous Cadmium(II) Anionic Metal‒Organic Frameworks Based on Aromatic Tricarboxylate Ligands: Encapsulation of Protonated Flexible Bis(2-methylimidazolyl) Ligands and Proton Conductivity
• Authors of publication: Li, Xiaoju; Sun, Xiaofei; Li, Xinxiong; Fu, Zhihua; Su, Yanqing; Xu, Gang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4543
• a: 13.926 ± 0.006 Å
• b: 16.59 ± 0.007 Å
• c: 16.181 ± 0.007 Å
• α: 90°
• β: 110.296 ± 0.007°
• γ: 90°
• Cell volume: 3506 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No