Information card for entry 4503488

Structure parameters

• Formula: C15 H15 Cl5 Cu5 N3 S3
• Calculated formula: C15 H15 Cl5 Cu5 N3 S3
• 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: 10.894 ± 0.006 Å
• b: 20.828 ± 0.012 Å
• c: 5.325 ± 0.003 Å
• α: 90°
• β: 104.344 ± 0.01°
• γ: 90°
• Cell volume: 1170.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No