Information card for entry 7222042

Structure parameters

• Formula: C45 H27 Cd2 N5 O8
• Calculated formula: C45 H27 Cd2 N5 O8
• Title of publication: A series of mixed-ligand 2D and 3D coordination polymers assembled from a novel multifunctional pyridine-tricarboxylate building block: hydrothermal syntheses, structural and topological diversity, and magnetic and luminescent properties
• Authors of publication: Gu, Jinzhong; Cui, Yanhui; Wu, Jiang; Kirillov, Alexander M.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.666 ± 0.003 Å
• b: 15.518 ± 0.005 Å
• c: 15.924 ± 0.006 Å
• α: 103.487 ± 0.004°
• β: 95.131 ± 0.004°
• γ: 91.792 ± 0.004°
• Cell volume: 2071 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No