Crystallography Open Database

Information card for entry 4117490

Preview

Coordinates	4117490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 Au3 F6 N6 S6
Calculated formula	C51 H39 Au3 F6 N6 S6
Title of publication	A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions
Authors of publication	Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	2938 - 2941
a	9.2851 ± 0.0003 Å
b	30.0971 ± 0.0009 Å
c	37.5323 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10488.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2611
Weighted residual factors for all reflections included in the refinement	0.2699
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178945 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/74.	4117490.cif
74589	2013-03-01	cif/ Adding structures of 4117490 via cif-deposit CGI script.	4117490.cif