Crystallography Open Database

Information card for entry 4326615

Preview

Coordinates	4326615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H39 Au2 F6 P2 S Sb
Calculated formula	C44 H39 Au2 F6 P2 S Sb
SMILES	c1c([P]([Au][S](CCc2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cccc1.[Sb](F)(F)(F)([F-])(F)F
Title of publication	Crystal Structures of Au2 Complex and Au25 Nanocluster and Mechanistic Insight into the Conversion of Polydisperse Nanoparticles into Monodisperse Au25 Nanoclusters
Authors of publication	Huifeng Qian; William T. Eckenhoff; Mark E. Bier; Tomislav Pintauer; Rongchao Jin
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10735 - 10739
a	39.003 ± 0.003 Å
b	12.2979 ± 0.0008 Å
c	23.898 ± 0.002 Å
α	90°
β	124.642 ± 0.008°
γ	90°
Cell volume	9430.7 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1038
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1813
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
179369 (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 4/32/66.	4326615.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326615.cif
49389	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326615 via cif-deposit CGI script.	4326615.cif