Information card for entry 4503159

Structure parameters

• Formula: C12 H8 Cu3 I N6
• Calculated formula: C12 H8 Cu3 I N6
• Title of publication: Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts
• Authors of publication: Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 568
• a: 11.639 ± 0.0007 Å
• b: 29.7697 ± 0.0019 Å
• c: 4.1222 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1428.3 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No