Crystallography Open Database

Information card for entry 4070532

Preview

Coordinates	4070532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 Au Br P
Calculated formula	C24 H31 Au Br P
SMILES	[Au](Br)[P](c1ccccc1c1ccccc1)(C1CCCCC1)C1CCCCC1
Title of publication	Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State
Authors of publication	Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	28
a	9.7079 ± 0.0006 Å
b	10.1259 ± 0.0006 Å
c	12.1991 ± 0.0007 Å
α	110.563 ± 0.001°
β	96.051 ± 0.001°
γ	93.479 ± 0.001°
Cell volume	1110.36 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070532.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070532.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070532.cif
42546	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070532, 4070533, 4070534, 4070535, 4070536 via cif-deposit CGI script.	4070532.cif