Crystallography Open Database

Information card for entry 7014368

Preview

Coordinates	7014368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H62 Au2 Cl2 N2 O4.5 P2 S2
Calculated formula	C45.5 H57 Au2 Cl2 N2 O4.5 P2 S2
Title of publication	Reactions of a gold(I) thiolate complex [Au(Tab)(2)](2)(PF(6))(2) (Tab = 4-(trimethylammonio)benzenethiolate) with diphosphine ligands.
Authors of publication	Zheng, Ai-Xia; Ren, Zhi-Gang; Li, Ling-Ling; Shang, Hai; Li, Hong-Xi; Lang, Jian-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	3
Pages of publication	589 - 596
a	8.706 ± 0.003 Å
b	29.885 ± 0.008 Å
c	21.926 ± 0.006 Å
α	90°
β	104.251 ± 0.011°
γ	90°
Cell volume	5529 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7014368.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7014368.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7014368.cif
14737	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 7014367, 7014368, 7014369, 7014370 via cif-deposit CGI script.	7014368.cif