Crystallography Open Database

Information card for entry 7018798

Preview

Coordinates	7018798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Au N4 O4 P
Calculated formula	C21 H16 Au N4 O4 P
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(N(=O)=O)cc1N(=O)=O
Title of publication	Synthesis and characterization of azolate gold(i) phosphane complexes as thioredoxin reductase inhibiting antitumor agents.
Authors of publication	Galassi, Rossana; Burini, Alfredo; Ricci, Simone; Pellei, Maura; Rigobello, Maria Pia; Citta, Anna; Dolmella, Alessandro; Gandin, Valentina; Marzano, Cristina
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5307 - 5318
a	8.13 ± 0.0016 Å
b	11.393 ± 0.002 Å
c	23.339 ± 0.005 Å
α	90°
β	97.6 ± 0.03°
γ	90°
Cell volume	2142.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.364
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
179891 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/87.	7018798.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018798.cif
55961	2012-05-08	cif/ Adding structures of 7018798, 7018799 via cif-deposit CGI script.	7018798.cif