Crystallography Open Database

Information card for entry 4104431

Preview

Coordinates	4104431.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCy3AuCl3
Formula	C18 H33 Au Cl3 P
Calculated formula	C18 H33 Au Cl3 P
SMILES	[Au](Cl)(Cl)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Title of publication	Halogen Photoreductive Elimination from Gold(III) Centers
Authors of publication	Thomas S. Teets; Daniel G. Nocera
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7411 - 7420
a	17.2194 ± 0.0014 Å
b	13.7859 ± 0.0014 Å
c	18.2238 ± 0.0016 Å
α	90°
β	99.905 ± 0.002°
γ	90°
Cell volume	4261.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.065
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
178790 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/44.	4104431.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104431.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104431.cif
29455	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104431 via cif-deposit CGI script.	4104431.cif