Crystallography Open Database

Information card for entry 4505325

Preview

Coordinates	4505325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Au N2 O3 S2
Calculated formula	C9 H13 Au N2 O3 S2
Title of publication	Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid
Authors of publication	Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	3
Pages of publication	573
a	14.3972 ± 0.0009 Å
b	14.3972 ± 0.0009 Å
c	26.008 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5390.9 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.896
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
179588 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53.	4505325.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505325.cif
51387	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505325 via cif-deposit CGI script.	4505325.cif