Crystallography Open Database

Information card for entry 4115174

Preview

Coordinates	4115174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Ag1.05 Br Li1.95 N4
Calculated formula	C30 H50 Ag1.0512 Br Li1.9488 N4
Title of publication	The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI, AuI; X = Br, C\τbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)
Authors of publication	Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Jaap Boersma; Martin Lutz; Anthony L. Spek; Gerard van Koten
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	11675 - 11683
a	12.6609 ± 0.0003 Å
b	31.2622 ± 0.0008 Å
c	8.5488 ± 0.0002 Å
α	90°
β	107.715 ± 0.001°
γ	90°
Cell volume	3223.24 ± 0.14 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
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	0.0734
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178922 (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 4/11/51.	4115174.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115174.cif
68604	2012-11-08	cif/ Adding structures of 4115174 via cif-deposit CGI script.	4115174.cif