Crystallography Open Database

Information card for entry 4334382

Preview

Coordinates	4334382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Au2 F6 N8 O6 S2
Calculated formula	C24 H32 Au2 F6 N8 O6 S2
SMILES	[Au](=C1N(CCCN2C(=[Au]3)N(C=C2)C)C=CN1C)=C1N(C=CN1CCCN1C=3N(C=C1)C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands
Authors of publication	Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4071 - 4083
a	11.6722 ± 0.0012 Å
b	11.8585 ± 0.0012 Å
c	13.1933 ± 0.0013 Å
α	84.831 ± 0.002°
β	86.715 ± 0.002°
γ	61.664 ± 0.002°
Cell volume	1600.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.049
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334382.cif
100200	2014-02-04	cif/ Adding structures of 4334382 via cif-deposit CGI script.	4334382.cif