Crystallography Open Database

Information card for entry 4125217

Preview

Coordinates	4125217.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C84 H152 Au0.8 Cl3.2 Na0.8 O76
Calculated formula	C84 H152 Au0.8 Cl3.2 Na0.8 O76
SMILES	[C@H]12[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@@H](O)[C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H]([C@H](O)[C@H]1O)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@H]1[C@@H]([C@H]([C@@H](O2)O[C@@H]1CO)O)O)O)O)O)O)O)O)O)O)O.OC[C@H]1O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O[C@H]1O[C@@H]([C@@H](O[C@@H]3[C@H](O)[C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O2)O)O)O)O)O)O)O)[C@H](O)[C@H]1O)CO.[Au](Cl)(Cl)(Cl)[Cl-].[Na+].O.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	15.7324 ± 0.0009 Å
b	24.3405 ± 0.0013 Å
c	19.2739 ± 0.0012 Å
α	90°
β	108.952 ± 0.003°
γ	90°
Cell volume	6980.5 ± 0.7 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	0.0475
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4125217.cif
187901	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.	4125217.cif
186139	2016-09-06	cif/ Adding structures of 4125217 via cif-deposit CGI script.	4125217.cif