Crystallography Open Database

Information card for entry 4340307

Preview

Coordinates	4340307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Au3 N6 S3
Calculated formula	C21 H15 Au3 N6 S3
Title of publication	Tuning the extended structure and electronic properties of gold(i) thienyl pyrazolates.
Authors of publication	Earl, Lyndsey D.; Nagle, Jeffrey K.; Wolf, Michael O.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	14
Pages of publication	7106 - 7117
a	25.9877 ± 0.0014 Å
b	13.4134 ± 0.0008 Å
c	6.8232 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2378.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179506 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/03.	4340307.cif
121215	2014-08-05	cif/ Updating files of 4340307, 4340308 Original log message: Adding full bibliography for 4340307--4340308.cif.	4340307.cif
118801	2014-07-01	cif/ Adding structures of 4340307, 4340308 via cif-deposit CGI script.	4340307.cif