Information card for entry 4309223

Structure parameters

• Formula: C108 H144 Hg10 P4 Se16
• Calculated formula: C108 Hg10 P4 Se16
• SMILES: C(CC)[P]([Hg]12[Se](c3ccccc3)[Hg]34[Se]5[Hg]67[Se](c8ccccc8)[Hg]([P](CCC)(CCC)CCC)([Se](c8ccccc8)[Hg]89[Se]6[Hg]6%10[Se]([Hg]5([Se](c5ccccc5)[Hg]([P](CCC)(CCC)CCC)([Se]7c5ccccc5)[Se]%10c5ccccc5)[Se]1c1ccccc1)[Hg]([Se]38)([Se](c1ccccc1)[Hg]([P](CCC)(CCC)CCC)([Se]6c1ccccc1)[Se]9c1ccccc1)[Se]2c1ccccc1)[Se]4c1ccccc1)(CCC)CCC
• 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: 37.1143 ± 0.0012 Å
• b: 37.1143 ± 0.0012 Å
• c: 37.1143 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 51124 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 2.424
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No