Crystallography Open Database

Information card for entry 4080146

Preview

Coordinates	4080146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 Au Cl P
Calculated formula	C14 H17 Au Cl P
SMILES	C1(=C(C(=C(C)[P]1(c1ccccc1)[Au]Cl)C)C)C
Title of publication	Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation
Authors of publication	Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1571 - 1574
a	8.6475 ± 0.0002 Å
b	12.3083 ± 0.0003 Å
c	13.467 ± 0.0003 Å
α	90°
β	90.181 ± 0.002°
γ	90°
Cell volume	1433.37 ± 0.06 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0468
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
178690 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/01.	4080146.cif
80868	2013-04-10	cif/ Adding structures of 4080146, 4080147, 4080148 via cif-deposit CGI script.	4080146.cif