Crystallography Open Database

Information card for entry 4326366

Preview

Coordinates	4326366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H13 Au F5 N2 P S
Calculated formula	C22 H13 Au F5 N2 P S
SMILES	[Au](Sc1c(c(c(c(c1F)F)F)F)F)[P](c1ncccc1)(c1ncccc1)c1ccccc1
Title of publication	Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks
Authors of publication	Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9533 - 9544
a	8.1905 ± 0.0016 Å
b	12.172 ± 0.002 Å
c	12.592 ± 0.003 Å
α	62.68 ± 0.03°
β	75.69 ± 0.03°
γ	82.13 ± 0.03°
Cell volume	1080.3 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326366.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326366.cif
48530	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326366 via cif-deposit CGI script.	4326366.cif