Crystallography Open Database

Information card for entry 7052152

Preview

Coordinates	7052152.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	10
Formula	C22 H32 Cl2 Cu N6 O2
Calculated formula	C22 H32 Cl2 Cu N6 O2
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	12.8579 ± 0.0011 Å
b	14.746 ± 0.0013 Å
c	13.8823 ± 0.0012 Å
α	90°
β	98.669 ± 0.002°
γ	90°
Cell volume	2602 ± 0.4 Å³
Cell temperature	303 ± 2 K
Ambient diffraction temperature	303 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	7052152.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052152.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052152.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.	7052152.cif