Information card for entry 4503156

Structure parameters

• Formula: C68 H64 Cu19 I20 N30
• Calculated formula: C68 H64 Cu19 I23 N30
• 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: 28.4132 ± 0.0007 Å
• b: 28.4132 ± 0.0007 Å
• c: 14.0586 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11349.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No