Crystallography Open Database

Information card for entry 4129545

Preview

Coordinates	4129545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Au Cl F3 P2 Sb
Calculated formula	C36 H28 Au Cl F3 P2 Sb
SMILES	[Au]12([Sb](F)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)(F)(F)c1ccccc1[P]2(c1ccccc1)c1ccccc1)Cl
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	10.4745 ± 0.0015 Å
b	16.186 ± 0.002 Å
c	10.6057 ± 0.0015 Å
α	90°
β	117.492 ± 0.001°
γ	90°
Cell volume	1595 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4129545.cif