Information card for entry 4500261

Structure parameters

• Formula: C19.5 H18.75 N5.25 O5 Zn
• Calculated formula: C19.5 H17.25 N5.25 O5 Zn
• 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: 15.241 ± 0.003 Å
• b: 9.853 ± 0.002 Å
• c: 15.122 ± 0.003 Å
• α: 90°
• β: 96.02 ± 0.03°
• γ: 90°
• Cell volume: 2258.3 ± 0.8 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: 0.1741
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No