Crystallography Open Database

Information card for entry 4340308

Preview

Coordinates	4340308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H63 Au3 N6 S3
Calculated formula	C43.71 H60.42 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	34.404 ± 0.005 Å
b	22.375 ± 0.003 Å
c	13.0426 ± 0.0019 Å
α	90°
β	103.142 ± 0.002°
γ	90°
Cell volume	9777 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.1081
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1501
Weighted residual factors for all reflections included in the refinement	0.1969
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4340308.cif
121215	2014-08-05	cif/ Updating files of 4340307, 4340308 Original log message: Adding full bibliography for 4340307--4340308.cif.	4340308.cif
118801	2014-07-01	cif/ Adding structures of 4340307, 4340308 via cif-deposit CGI script.	4340308.cif