Crystallography Open Database

Information card for entry 7024419

Preview

Coordinates	7024419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Au Cl2 N2 P S
Calculated formula	C14 H24 Au Cl2 N2 P S
SMILES	[Au]1(Cl)(Cl)[S]=P(N(CC)CC)(N(CC)CC)c2c1cccc2
Title of publication	Cycloaurated triphenylphosphine-sulfide and -selenide.
Authors of publication	Kilpin, Kelly J.; Henderson, William; Nicholson, Brian K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	7
Pages of publication	1855 - 1864
a	27.3998 ± 0.0009 Å
b	7.952 ± 0.0003 Å
c	17.1925 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3746 ± 0.2 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179949 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44.	7024419.cif
92481	2014-01-12	cif/ Adding structures of 7024418, 7024419, 7024420, 7024421 via cif-deposit CGI script.	7024419.cif