Crystallography Open Database

Information card for entry 4125221

Preview

Coordinates	4125221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H164 Au0.78 Br3.1 O82 Rb0.78
Calculated formula	C84 H164 Au0.775 Br3.1 O82 Rb0.775
Title of publication	Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination.
Authors of publication	Liu, Zhichang; Samanta, Avik; Lei, Juying; Sun, Junling; Wang, Yuping; Stoddart, J. Fraser
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	36
Pages of publication	11643 - 11653
a	15.8404 ± 0.0004 Å
b	24.5602 ± 0.0006 Å
c	19.0823 ± 0.0006 Å
α	90°
β	108.399 ± 0.002°
γ	90°
Cell volume	7044.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.95 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	0.0748
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1875
Weighted residual factors for all reflections included in the refinement	0.1938
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
187901 (current)	2016-11-06	cif/ Updating files of 4125213, 4125214, 4125215, 4125216, 4125217, 4125218, 4125219, 4125220, 4125221, 4125222, 4125223, 4125224 Original log message: Adding full bibliography for 4125213--4125224.cif.	4125221.cif
186143	2016-09-06	cif/ Adding structures of 4125221 via cif-deposit CGI script.	4125221.cif