Crystallography Open Database

Information card for entry 1548333

Preview

Coordinates	1548333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H240 Au Br4 O124
Calculated formula	C144 H240 Au Br4 O124
Title of publication	Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin
Authors of publication	Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart
Journal of publication	Nature Communications
Year of publication	2013
Journal volume	4
Pages of publication	1855
a	23.6711 ± 0.0011 Å
b	23.6711 Å
c	22.7697 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	12758.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.1909
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2141
Weighted residual factors for all reflections included in the refinement	0.2461
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
203818 (current)	2017-11-30	cif/ Adding structures of 1548333 via cif-deposit CGI script.	1548333.cif