Crystallography Open Database

Information card for entry 7112880

Preview

Coordinates	7112880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Ag Cl2 F3 N4 O7 S3
Calculated formula	C36 H38 Ag Cl2 F3 N4 O7 S3
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	12.0856 ± 0.0019 Å
b	13.665 ± 0.002 Å
c	14.212 ± 0.002 Å
α	72.566 ± 0.003°
β	83.781 ± 0.003°
γ	66.621 ± 0.003°
Cell volume	2055.3 ± 0.5 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1345
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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.	7112880.cif
112139	2014-04-30	cif/ Adding structures of 7112879, 7112880 via cif-deposit CGI script.	7112880.cif