Information card for entry 4115042

Structure parameters

• Common name: UCR-9
• Formula: C124 H106 Cd8 N8 O16 S15
• Calculated formula: C124 H96 Cd8 N8 O16 S13
• Title of publication: Self-Assembly of Novel Dye Molecules and [Cd8(SPh)12]4+ Cubic Clusters into Three-Dimensional Photoluminescent Superlattice
• Authors of publication: Nanfeng Zheng; Xianhui Bu; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9688 - 9689
• a: 27.156 ± 0.003 Å
• b: 26.242 ± 0.003 Å
• c: 13.2949 ± 0.0016 Å
• α: 90°
• β: 90.57 ± 0.003°
• γ: 90°
• Cell volume: 9473.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No