Information card for entry 7211855

Structure parameters

• Formula: C8 H6 Cu3 I N4 S2
• Calculated formula: C8 H6 Cu3 I N4 S2
• Title of publication: Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands
• Authors of publication: Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1103
• a: 10.4687 ± 0.0016 Å
• b: 7.7318 ± 0.0012 Å
• c: 15.289 ± 0.002 Å
• α: 90°
• β: 95.702 ± 0.003°
• γ: 90°
• Cell volume: 1231.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No