Crystallography Open Database

Information card for entry 1512461

Preview

Coordinates	1512461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H27 Au F3 N2 O3 P S
Calculated formula	C37 H27 Au F3 N2 O3 P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c(c2c(cc1)cccc2)c1nccc2c1cccc2.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Mono- and dinuclear luminescent 1,1'-biisoquinoline gold(I) complexes
Authors of publication	Manuel Bardaji; Ana B. Miguel-Coello; Pablo Espinet
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	91 - 98
a	12.002 ± 0.004 Å
b	12.384 ± 0.004 Å
c	13.753 ± 0.005 Å
α	89.31 ± 0.007°
β	68.336 ± 0.006°
γ	63.986 ± 0.006°
Cell volume	1679.6 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512461.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512461.cif
89390	2013-10-24	cif/ Adding structures of 1512461 via cif-deposit CGI script.	1512461.cif