Crystallography Open Database

Information card for entry 7112879

Preview

Coordinates	7112879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H144 Au4 Cl4 N16 O16 S8
Calculated formula	C136 H144 Au4 Cl4 N16 O16 S8
Title of publication	Gold(I) complex of N,N'-disubstituted cyclic thiourea with in vitro and in vivo anticancer properties-potent tight-binding inhibition of thioredoxin reductase.
Authors of publication	Yan, Kun; Lok, Chun-Nam; Bierla, Katarzyna; Che, Chi-Ming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	41
Pages of publication	7691 - 7693
a	24.501 ± 0.005 Å
b	5.665 ± 0.001 Å
c	24.806 ± 0.005 Å
α	90°
β	95.36 ± 0.03°
γ	90°
Cell volume	3428 ± 1.2 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (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 7/11/28.	7112879.cif
112139	2014-04-30	cif/ Adding structures of 7112879, 7112880 via cif-deposit CGI script.	7112879.cif