Crystallography Open Database

Information card for entry 1506697

Preview

Coordinates	1506697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Au F6 N O4 P S2
Calculated formula	C20 H15 Au F6 N O4 P S2
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
Title of publication	Phosphine gold(I) bis-(trifluoromethanesulfonyl)imidate complexes as new highly efficient and air-stable catalysts for the cycloisomerization of enynes.
Authors of publication	Mézailles, Nicolas; Ricard, Louis; Gagosz, Fabien
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	19
Pages of publication	4133 - 4136
a	13.413 ± 0.001 Å
b	8.473 ± 0.001 Å
c	22.024 ± 0.001 Å
α	90°
β	106.357 ± 0.001°
γ	90°
Cell volume	2401.7 ± 0.4 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506697.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506697.cif
50514	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506697 via cif-deposit CGI script.	1506697.cif