Information card for entry 7211853

Structure parameters

• Formula: C4 H3 Cl Cu2 N2 S
• Calculated formula: C4 H3 Cl Cu2 N2 S
• 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: 3.8822 ± 0.0008 Å
• b: 8.09 ± 0.0017 Å
• c: 10.318 ± 0.002 Å
• α: 96.751 ± 0.004°
• β: 91.577 ± 0.004°
• γ: 93.729 ± 0.004°
• Cell volume: 320.93 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No