Information card for entry 4503486

Structure parameters

• Formula: C5 H4 Cl Cu2 N S
• Calculated formula: C5 H4 Cl Cu2 N S
• Title of publication: Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials
• Authors of publication: Hao, Zheng-Ming; Zhang, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2359
• a: 3.916 ± 0.0006 Å
• b: 7.8372 ± 0.0012 Å
• c: 11.4705 ± 0.0018 Å
• α: 90°
• β: 93.215 ± 0.003°
• γ: 90°
• Cell volume: 351.48 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No