Information card for entry 4513366

Structure parameters

• Formula: C62 H66 Cd N14 O16
• Calculated formula: C62 H58 Cd N14 O16
• Title of publication: A Family of Capsule-Based Coordination Polymers Constructed from a New Tetrakis(1,2,4-triazol-ylmethyl)resorcin[4]arene Cavitand and Varied Dicarboxylates for Selective Metal-Ion Exchange and Luminescent Properties
• Authors of publication: Hu, Yu-Jing; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3822
• a: 21.6645 ± 0.0007 Å
• b: 16.7527 ± 0.0005 Å
• c: 19.1286 ± 0.0008 Å
• α: 90°
• β: 112.582 ± 0.004°
• γ: 90°
• Cell volume: 6410.2 ± 0.4 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: 0.0834
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No