Information card for entry 4309225

Structure parameters

• Formula: C181 H180 Cd17 P2 S30
• Calculated formula: C181 Cd17 P2 S30
• SMILES: [Cd]123[S]45[Cd]67[S]89[Cd]%10%11[S]([Cd]%12%13S%147[Cd]7%15[S]([Cd]%169[S]([Cd]([S]%10c9ccccc9)([S]([Cd]98[S]([Cd]4([S]([Cd]4(S86[Cd]([S]2c2ccccc2)([S]([Cd]%14([S]1c1ccccc1)[S]([Cd]([S]%13c1ccccc1)([S]%15c1ccccc1)[P](CCC)(CCC)CCC)c1ccccc1)c1ccccc1)[S]([Cd]([S]([Cd]8([S]%16c1ccccc1)[S]7c1ccccc1)c1ccccc1)([S]4c1ccccc1)[P](CCC)(CCC)CCC)c1ccccc1)[S]9c1ccccc1)c1ccccc1)[S]([Cd]([S]([Cd]5([S]%11c1ccccc1)[S]%12c1ccccc1)c1ccccc1)([S]3c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)Sc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties
• Authors of publication: Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5447 - 5458
• a: 34.2588 ± 0.0018 Å
• b: 35.9324 ± 0.0019 Å
• c: 35.1 ± 0.002 Å
• α: 90°
• β: 90.239 ± 0.002°
• γ: 90°
• Cell volume: 43208 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.328
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No