Information card for entry 4502606

Structure parameters

• Formula: C24 H20 Cu2 I2 N12
• Calculated formula: C24 H20 Cu2 I2 N12
• SMILES: c12[n](nc(n1N)c1ccccn1)[Cu]13([I][Cu]43([I]1)[n]1c(c3cccc[n]43)n(c(c3ccccn3)n1)N)[n]1c2cccc1
• Title of publication: Design and Construction of Coordination Polymers by 4-Amino-3,5-bis(n-pyridyl)-1,2,4-triazole (n= 2, 3, 4) Isomers in a Copper(I) Halide System: Diverse Structures Tuned by Isomeric and Anion Effects
• Authors of publication: Li, Baiyan; Peng, Yu; Li, Guanghua; Hua, Jia; Yu, Yang; Jin, Di; Shi, Zhan; Feng, Shouhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2192
• a: 8.5625 ± 0.0006 Å
• b: 8.8778 ± 0.0005 Å
• c: 10.2525 ± 0.0005 Å
• α: 76.291 ± 0.004°
• β: 76.928 ± 0.004°
• γ: 63.95 ± 0.004°
• Cell volume: 673.55 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0379
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No