Crystallography Open Database

Information card for entry 7052151

Preview

Coordinates	7052151.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Formula	C18 H21 Cl2 Cu N5
Calculated formula	C18 H21 Cl2 Cu N5
Title of publication	The solvent-templating effect as the driving factor that influences the formation of crystalline materials based on the stacking of metallocycles
Authors of publication	Liliana Dobrzańska; Gareth O. Lloyd; Leonard J. Barbour
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	5
Pages of publication	669
a	8.59 ± 0.002 Å
b	12.854 ± 0.003 Å
c	18.163 ± 0.004 Å
α	90°
β	91.596 ± 0.004°
γ	90°
Cell volume	2004.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1973
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.231
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
180075 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21.	7052151.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052151.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052151.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052151.cif