Information card for entry 4125830

Structure parameters

• Formula: Cd54 O4 Se80
• Calculated formula: Cd54 O4 Se80
• SMILES: [Cd]123[Se]45[Cd]67[Se]89[Cd]%10%11[Se]%12%13[Cd]%14%15[Se]%161[Cd]1%17[Se]%18[Cd]%19%20[Se]%213[Cd]3%22[Se]%237[Cd]7%24[Se]%25[Cd]%265[Se]5[Cd]%27%28[Se]%292[Cd]2%30[Se]%31%14[Cd]%14%32[Se]1[Cd]%29([Se]%19)[Se][Cd]1([Se]%19%30[Cd]%29([Se]%32)[Se][Cd]([OH2])([Se]1)[Se][Cd]1%19[Se][Cd]%19%30[Se]%322[Cd]4%12[Se]24[Cd]%12%33[Se]%34%11[Cd]%11%35[Se]%36[Cd]%37%13[Se]%13[Cd]%38([Se]%39%15[Cd]%15%40[Se]%41%10[Cd]%10%42[Se]%43[Cd]%448[Se]8[Cd]%45([Se]6%12[Cd]6([Se]7)[Se]%26[Cd]2([Se][Cd]5%32[Se]1)[Se][Cd]1([Se]2%33[Cd]([Se]%35)([Se][Cd]([OH2])([Se][Cd]2([Se]%45)[Se]6)[Se]1)[Se][Cd]%348[Se]%10)[Se][Cd]4%36[Se]%30)[Se][Cd]1%23[Se]%44[Cd]24[Se]5%22[Cd]9%16[Se]6%40[Cd]7([Se]%17[Cd]%39([Se]%14)[Se][Cd]8([Se]9%15[Cd]([Se]%42)([Se][Cd]([OH2])([Se]8)[Se][Cd]9([Se]7)[Se][Cd]%436[Se]2)[Se][Cd]%13%41[Se]%11)[Se]%38)[Se][Cd]%185[Se][Cd]2([Se]53[Cd]([Se]%20)([Se][Cd]([OH2])([Se][Cd]5([Se]%24)[Se]1)[Se]2)[Se][Cd]%21%25[Se]%27)[Se]4)[Se][Cd]%31([Se]%19%37)[Se]%29)[Se]%28
• Title of publication: Luminescent CdSe Superstructures: A Nanocluster Superlattice and a Nanoporous Crystal.
• Authors of publication: Levchenko, Tetyana I.; Kübel, Christian; Khalili Najafabadi, Bahareh; Boyle, Paul D.; Cadogan, Carolyn; Goncharova, Lyudmila V.; Garreau, Alexandre; Lagugné-Labarthet, François; Huang, Yining; Corrigan, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 3
• Pages of publication: 1129 - 1144
• a: 24.412 ± 0.006 Å
• b: 24.412 Å
• c: 24.412 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14548 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 215
• Hermann-Mauguin space group symbol: P -4 3 m
• Hall space group symbol: P -4 2 3
• Residual factor for all reflections: 0.1717
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2345
• Weighted residual factors for all reflections included in the refinement: 0.2694
• Goodness-of-fit parameter for all reflections included in the refinement: 7.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No