Crystallography Open Database

Information card for entry 4125214

Preview

Coordinates	4125214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H130 Au0.75 Cl4 Na O65
Calculated formula	C72 H130 Au0.75 Cl4 Na O65
SMILES	[C@@H]12[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O2)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]1O)CO)O)O)O)O)O.O1[C@@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O[C@H]2O[C@@H]([C@@H](O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](O[C@H]6O[C@@H]([C@@H]1[C@H](O)[C@H]6O)CO)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]2O)CO)O)O.[Au](Cl)(Cl)(Cl)[Cl-].[Cl-].[Na+].O.O.O.O.O
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	13.6582 ± 0.0007 Å
b	13.9202 ± 0.0007 Å
c	15.6235 ± 0.0009 Å
α	93.585 ± 0.002°
β	89.976 ± 0.002°
γ	118.879 ± 0.0017°
Cell volume	2594.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0989
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2476
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4125214.cif
186136	2016-09-06	cif/ Adding structures of 4125214 via cif-deposit CGI script.	4125214.cif