Information card for entry 4111893

Structure parameters

• Formula: C158 H138 Cd17 N4 S6 Se26
• Calculated formula: C144 Cd17 S5 Se27
• SMILES: c1(ccccc1)[Se]1[Cd]23[S]45[Cd]67[S]89[Cd]%101[Se](c1ccccc1)[Cd]1([Se]2c2ccccc2)[Se](c2ccccc2)[Cd]2([Se](c%11ccccc%11)[Cd]%11%12[Se](c%13ccccc%13)[Cd]%13%14[S]%157[Cd]7%16[Se](c%17ccccc%17)[Cd]4([Se](c4ccccc4)[Cd]9([Se](c4ccccc4)[Cd](=S)([Se]%10c4ccccc4)[Se](c4ccccc4)[Cd]48[Se](c8ccccc8)[Cd]%15([Se](c8ccccc8)[Cd]([S]61%11)([Se]4c1ccccc1)[Se]2c1ccccc1)[Se](c1ccccc1)[Cd](=[Se])([Se]%16c1ccccc1)[Se]%14c1ccccc1)[Se]7c1ccccc1)[Se](c1ccccc1)[Cd]([Se]3c1ccccc1)(=[Se])[Se](c1ccccc1)[Cd]5([Se]%13c1ccccc1)[Se]%12c1ccccc1)=[Se]
• Title of publication: Crystalline Superlattices from Single-Sized Quantum Dots
• Authors of publication: Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11963 - 11965
• a: 26.8981 ± 0.0017 Å
• b: 26.8981 ± 0.0017 Å
• c: 87.805 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 55017 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No