Information card for entry 4111892

Structure parameters

• Common name: MOL-3CdS
• Formula: C158 H138 Cd17 N4 S32
• Calculated formula: C158 Cd17 N4 S32
• SMILES: [S]1(c2ccccc2)[Cd]23[S](c4ccccc4)[Cd]45[S](c6ccccc6)[Cd]6([S](c7ccccc7)[Cd]7([S](c8ccccc8)[Cd]89S[Cd]%10%11S[Cd]%12([S](c%13ccccc%13)[Cd]%13%14[S]([Cd]%15%16[S](c%17ccccc%17)[Cd]%17([S]%182[Cd]2([S](c%19ccccc%19)[Cd]%19([S](c%20ccccc%20)[Cd]([S]2c2ccccc2)([S]69[Cd]%18([S]%11%14%19)[S]5%15[Cd]([S](c2ccccc2)[Cd]([S]4c2ccccc2)(Sc2ccccc2)[S]%16c2ccccc2)([S]%10c2ccccc2)[S]8c2ccccc2)[S]7c2ccccc2)S%12)[S]([Cd]1([S]%17c1ccccc1)[S]=C(N)N)c1ccccc1)[S]%13c1ccccc1)c1ccccc1)[S]=C(N)N)Sc1ccccc1)[S]3c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 19.172 ± 0.003 Å
• b: 19.172 ± 0.003 Å
• c: 45.758 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14566 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2766
• Weighted residual factors for all reflections included in the refinement: 0.2982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No