Crystallography Open Database

Information card for entry 4334386

Preview

Coordinates	4334386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Ag F3 N4 O3 S
Calculated formula	C16 H24 Ag F3 N4 O3 S
SMILES	C12N(CCCCCCCN3C(=[Ag]=2)N(C=C3)C)C=CN1C.FC(F)(S(=O)(=O)[O-])F
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	8.3251 ± 0.0008 Å
b	13.3513 ± 0.0012 Å
c	18.0199 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2002.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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.	4334386.cif
100204	2014-02-04	cif/ Adding structures of 4334386 via cif-deposit CGI script.	4334386.cif