Crystallography Open Database

Information card for entry 4129542

Preview

Coordinates	4129542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Au Cl6 P2 Sb
Calculated formula	C38 H32 Au Cl6 P2 Sb
SMILES	[Au]12([Sb](Cl)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1)Cl.ClCCl.ClCCl
Title of publication	Activation of a Hydroamination Gold Catalyst by Oxidation of a Redox-Noninnocent Chlorostibine Z-Ligand.
Authors of publication	Yang, Haifeng; Gabbaï, François P
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	41
Pages of publication	13425 - 13432
a	13.161 ± 0.004 Å
b	22.787 ± 0.006 Å
c	13.182 ± 0.004 Å
α	90°
β	104.658 ± 0.003°
γ	90°
Cell volume	3824.6 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
240245 (current)	2019-11-25	cif/ Adding structures of 4129542, 4129543, 4129544, 4129545, 4129546, 4129547 via cif-deposit CGI script.	4129542.cif