Information card for entry 4305748

Structure parameters

• Formula: C94 H82 N4 S15 Zn8
• Calculated formula: C94 H82 N4 S15 Zn8
• SMILES: [Zn]123[S]([Zn]4([S]([Zn]56[S]([Zn]7([S]([Zn]8([S]4c4ccccc4)[S]([Zn]([S]([Zn]([S]7c4ccccc4)([S]([Zn]([S]2c2ccccc2)([S]5c2ccccc2)[n]2cccc(N)c2)c2ccccc2)S368)c2ccccc2)([S]1c1ccccc1)[n]1cccc(N)c1)c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1
• Title of publication: Toward a Facile One-Step Construction of Quantum Dots Containing Zn8S Cores
• Authors of publication: Jingli Xie
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5564 - 5566
• a: 20.794 ± 0.004 Å
• b: 17.507 ± 0.004 Å
• c: 27.55 ± 0.006 Å
• α: 90°
• β: 104.16 ± 0.01°
• γ: 90°
• Cell volume: 9725 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1545
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No