Crystallography Open Database

Information card for entry 4104432

Preview

Coordinates	4104432.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCy3AuBr3
Formula	C18 H33 Au Br3 P
Calculated formula	C18 H33 Au Br3 P
SMILES	[P]([Au](Br)(Br)Br)(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	14.7919 ± 0.0009 Å
b	16.4575 ± 0.001 Å
c	9.0123 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2193.9 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4104432.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104432.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104432.cif
29456	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104432 via cif-deposit CGI script.	4104432.cif