Crystallography Open Database

Information card for entry 7012619

Preview

Coordinates	7012619.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu3LI3
Formula	C12 H14 Cu3 I3 N4 S
Calculated formula	C12 H14 Cu3 I3 N4 S
Title of publication	Banded ribbons of Cu6I6 hexamers and multimodal thioether pyrazine ligands linked by self-complementary N⋯H‒C synthons
Authors of publication	Amoore, Jarrod J. M.; Hanton, Lyall R.; Spicer, Mark D.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	6
Pages of publication	1056
a	8.3841 ± 0.0002 Å
b	9.2406 ± 0.0002 Å
c	13.799 ± 0.0004 Å
α	87.937 ± 0.001°
β	86.209 ± 0.001°
γ	67.204 ± 0.001°
Cell volume	983.34 ± 0.04 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7012619.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012619.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012619.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012619.cif