Information card for entry 7217176

Structure parameters

• Formula: C16 H9 Cd Cl N3 O4
• Calculated formula: C16 H9 Cd Cl N3 O4
• Title of publication: Selective pyridine recognition by a imidazole dicarboxylate-based 3D cadmium(II) MOF
• Authors of publication: Yue, Zhifang; Chen, Zhenna; Yao, Minjie; Wang, Haili; Li, Gang
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 22.0734 ± 0.001 Å
• b: 22.0734 ± 0.001 Å
• c: 16.1233 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7855.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No