Crystallography Open Database

Information card for entry 4102718

Preview

Coordinates	4102718.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1.2AN
Chemical name	Tetrakis(acetonitrile-1κN)bis{η^3^-μ~3~-1,3-bis[(2-pyridyl-1κN)methyl]- 1<i>H</i>-imidazol-2-ylidene-2κC}dicopper(I) gold(I) tris(hexafluorophosphate) acetonitrile disolvate
Formula	C42 H46 Au Cu2 F18 N14 P3
Calculated formula	C42 H46 Au Cu2 F18 N14 P3
Title of publication	"On-Off" Au(I)...Cu(I) Interactions in a Au(NHC)2 Luminescent Vapochromic Sensor
Authors of publication	Christoph E. Strasser; Vincent J. Catalano
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10009 - 10011
a	11.9958 ± 0.0002 Å
b	19.8135 ± 0.0005 Å
c	12.3023 ± 0.0002 Å
α	90°
β	106.354 ± 0.001°
γ	90°
Cell volume	2805.69 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102718.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102718.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102718.cif
25620	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102718 via cif-deposit CGI script.	4102718.cif