Information card for entry 4110532

Structure parameters

• Common name: COV-11CdS-FeBPy
• Formula: C258 H214 Cd32 Fe N6 S52
• Calculated formula: C216 Cd32 Fe0.6295 S52
• Title of publication: Metal-Chelate Dye-Controlled Organization of Cd32S14(SPh)404- Nanoclusters into Three-Dimensional Molecular and Covalent Open Architecture
• Authors of publication: Nanfeng Zheng; Haiwei Lu; Xianhui Bu; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4528 - 4529
• a: 46.374 ± 0.002 Å
• b: 51.581 ± 0.002 Å
• c: 53.407 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 127750 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.3087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No