Information card for entry 4305749

Structure parameters

• Formula: C98 H90 N4 S15 Zn8
• Calculated formula: C98 H90 N4 S15 Zn8
• SMILES: [Zn]12([S]([Zn]34[S]([Zn]5([S]([Zn]6([S]1c1ccccc1)[S]([Zn]1([S]([Zn]7([S]([Zn]([S]3c3ccccc3)([S]([Zn]([S]2c2ccccc2)([S]1c1ccccc1)S467)c1ccccc1)Sc1ccccc1)c1ccccc1)[S]5c1ccccc1)c1ccccc1)[n]1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)[n]1ccc(N(C)C)cc1
• 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: 25.771 ± 0.004 Å
• b: 14.459 ± 0.002 Å
• c: 26.549 ± 0.004 Å
• α: 90°
• β: 97.91 ± 0.003°
• γ: 90°
• Cell volume: 9799 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.3067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No