Crystallography Open Database

Information card for entry 4114852

Preview

Coordinates	4114852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Ag F5 N
Calculated formula	C19 H11 Ag F5 N
Title of publication	Do Aurophilic Interactions Compete against Hydrogen Bonds? Experimental Evidence and Rationalization Based on ab Initio Calculations
Authors of publication	Antonio Codina; Eduardo J. Fernández; Peter G. Jones; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Javier Pérez; Miguel A. Rodríguez
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	6781 - 6786
a	13.532 ± 0.0016 Å
b	5.6217 ± 0.0008 Å
c	21.626 ± 0.003 Å
α	90°
β	95.168 ± 0.009°
γ	90°
Cell volume	1638.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0476
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178919 (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 4/11/48.	4114852.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114852.cif
68216	2012-10-19	cif/ Adding structures of 4114852 via cif-deposit CGI script.	4114852.cif