Information card for entry 4122273

Structure parameters

• Formula: C330 H480 Cd35 N30 O60 Se20
• Calculated formula: Cd35 Se20
• SMILES: [Cd]1[Se]23[Cd][Se]45[Cd][Se]6([Cd][Se]78[Cd][Se]9%10[Cd][Se]%11([Cd][Se]%12%13[Cd][Se]%14%15[Cd][Se]%16([Cd][Se]%17%18[Cd][Se]%19%20[Cd][Se]1([Cd])[Cd][Se]1%21[Cd]%20[Se]%20([Cd]%14%17)[Cd]%14([Se]([Cd]47)([Cd]%10[Se]([Cd]1)([Cd]%11)[Cd]%13%20)[Cd]3%21)[Se]1([Cd]2%19)[Cd]%18[Se]2([Cd][Se]([Cd]8[Se]%14([Cd]9%12)[Cd]%152)([Cd]6)[Cd]51)[Cd]%16)[Cd])[Cd])[Cd]
• Title of publication: Atomic structures and gram scale synthesis of three tetrahedral quantum dots.
• Authors of publication: Beecher, Alexander N.; Yang, Xiaohao; Palmer, Joshua H.; LaGrassa, Alexandra L.; Juhas, Pavol; Billinge, Simon J. L.; Owen, Jonathan S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10645 - 10653
• a: 36.837 ± 0.01 Å
• b: 44.172 ± 0.012 Å
• c: 35.269 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 57388 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.2288
• Residual factor for significantly intense reflections: 0.1822
• Weighted residual factors for significantly intense reflections: 0.4715
• Weighted residual factors for all reflections included in the refinement: 0.4977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.535
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No