Crystallography Open Database

Information card for entry 4081022

Preview

Coordinates	4081022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Au N4 P S
Calculated formula	C14 H18 Au N4 P S
Title of publication	S-Propargylthiopyridine Phosphane Derivatives As Anticancer Agents: Characterization and Antitumor Activity
Authors of publication	García-Moreno, Elena; Gasc Sonia; Rodriguez-Yoldi, M Jesus; Cerrada, Elena; Laguna, Mariano
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3710
a	12.357 ± 0.005 Å
b	12.357 ± 0.005 Å
c	9.11 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	120 ± 0.005°
Cell volume	1204.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1867
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178699 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081022.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081022.cif
87971	2013-08-27	cif/ Adding structures of 4081022 via cif-deposit CGI script.	4081022.cif