Information card for entry 4500144

Structure parameters

• Formula: C6 H8 Cu6 I4 N6 S2
• Calculated formula: C6 H8 Cu6 I4 N6 S2
• Title of publication: Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties
• Authors of publication: Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 130
• a: 15.6513 ± 0.0015 Å
• b: 16.1222 ± 0.0015 Å
• c: 16.0671 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No