Crystallography Open Database

Information card for entry 7024418

Preview

Coordinates	7024418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Au Cl2 P Se
Calculated formula	C18 H14 Au Cl2 P Se
SMILES	[Au]1([Se]=P(c2c1cccc2)(c1ccccc1)c1ccccc1)(Cl)Cl
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	8.1506 ± 0.0001 Å
b	9.2374 ± 0.0001 Å
c	12.4369 ± 0.0002 Å
α	80.142 ± 0.001°
β	76.934 ± 0.001°
γ	89.994 ± 0.001°
Cell volume	897.94 ± 0.02 Å³
Cell temperature	89 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0161
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0358
Weighted residual factors for all reflections included in the refinement	0.036
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	7024418.cif
92481	2014-01-12	cif/ Adding structures of 7024418, 7024419, 7024420, 7024421 via cif-deposit CGI script.	7024418.cif