Crystallography Open Database

Information card for entry 4125830

Preview

Coordinates	4125830.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
193184 (current)	2017-03-04	cif/ Adding structures of 4125830 via cif-deposit CGI script.	4125830.cif