Crystallography Open Database

Information card for entry 7008146

Preview

Coordinates	7008146.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis-(copper(ii)-1-benzyl-4-propylamino-1,4,7- triazacyclononane) tetraperchlorate pentahydrate
Formula	C32 H56 Cl4 Cu2 N8 O21
Calculated formula	C32 H56 Cl4 Cu2 N8 O21
Title of publication	The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.
Authors of publication	Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	10
Pages of publication	1804 - 1813
a	20.7191 ± 0.0005 Å
b	16.1383 ± 0.0004 Å
c	14.7336 ± 0.0003 Å
α	90°
β	106.19 ± 0.03°
γ	90°
Cell volume	4731.1 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1182
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179785 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/81.	7008146.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008146.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008146.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008146.cif