Crystallography Open Database

Information card for entry 1548332

Preview

Coordinates	1548332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H134 Au0.79 Cl3.36 K O92
Calculated formula	C84 H134 Au0.786 Cl3.3586 K O92
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	15.7337 ± 0.0003 Å
b	24.3445 ± 0.0005 Å
c	19.2645 ± 0.0004 Å
α	90°
β	108.748 ± 0.001°
γ	90°
Cell volume	6987.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1614
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
203817 (current)	2017-11-30	cif/ Adding structures of 1548332 via cif-deposit CGI script.	1548332.cif