Crystallography Open Database

Information card for entry 4334951

Preview

Coordinates	4334951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Ag Cl N3
Calculated formula	C16 H15 Ag Cl N3
SMILES	[Ag](Cl)=C1N(N(N=C1c1ccc(cc1)C)c1ccccc1)C
Title of publication	Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands
Authors of publication	Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6142 - 6152
a	5.9205 ± 0.0002 Å
b	12.1256 ± 0.0006 Å
c	12.4065 ± 0.0006 Å
α	115.183 ± 0.002°
β	101.493 ± 0.002°
γ	90.792 ± 0.002°
Cell volume	784.94 ± 0.06 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation probe	x-ray
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
179452 (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 4/33/49.	4334951.cif
100837	2014-02-07	cif/ Adding structures of 4334951 via cif-deposit CGI script.	4334951.cif