Information card for entry 4500263

Structure parameters

• Formula: C42 H47.5 N12 O14.75 Zn2
• Calculated formula: C42 H40 N12 O14.75 Zn2
• Title of publication: Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties
• Authors of publication: Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1475
• a: 15.656 ± 0.003 Å
• b: 19.749 ± 0.004 Å
• c: 16.405 ± 0.003 Å
• α: 90°
• β: 114.35 ± 0.03°
• γ: 90°
• Cell volume: 4621.1 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No