Crystallography Open Database

Information card for entry 7114505

Preview

Coordinates	7114505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 Au2 Cl4 O6 P2 S2
Calculated formula	C44 H38 Au2 Cl4 O6 P2 S2
Title of publication	Coordination polymers of gold(i) with dithiolate and diphosphine ligands
Authors of publication	Hunks, William J.; Jennings, Michael C.; Puddephatt, Richard J.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1834
a	14.8337 ± 0.0008 Å
b	8.3956 ± 0.0004 Å
c	19.2351 ± 0.001 Å
α	90°
β	98.642 ± 0.003°
γ	90°
Cell volume	2368.3 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
180259 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/45.	7114505.cif
116820	2014-06-14	cif/ Adding structures of 7114505, 7114506 via cif-deposit CGI script.	7114505.cif