Information card for entry 4503487

Structure parameters

• Formula: C5 H4 Br Cu2 N S
• Calculated formula: C5 H4 Br 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: 3.9759 ± 0.0008 Å
• b: 7.858 ± 0.0015 Å
• c: 11.773 ± 0.002 Å
• α: 90°
• β: 93.912 ± 0.004°
• γ: 90°
• Cell volume: 366.96 ± 0.12 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: 0.0315
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No