Crystallography Open Database

Information card for entry 4115175

Preview

Coordinates	4115175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H50 Br Cu1.13 Li1.87 N4
Calculated formula	C30 H50 Br Cu1.13 Li1.87 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	12.6266 ± 0.0005 Å
b	31.1512 ± 0.0011 Å
c	8.6751 ± 0.0004 Å
α	90°
β	109.306 ± 0.0007°
γ	90°
Cell volume	3220.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0594
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4115175.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115175.cif
68605	2012-11-08	cif/ Adding structures of 4115175 via cif-deposit CGI script.	4115175.cif