Crystallography Open Database

Information card for entry 8101840

Preview

Coordinates	8101840.cif
External links	PubChem

Structure parameters

Chemical name	diaquabis(ethylenediamine-κ^2^N,N')copper(II) bis(p-chlorobenzoate)
Formula	C18 H28 Cl2 Cu N4 O6
Calculated formula	C18 H28 Cl2 Cu N4 O6
Title of publication	Crystal structure of diaquabis(ethylenediamine-k^2^N,N')copper(II) bis(p-chlorobenzoate), [Cu(C~2~H~8~N~2~)~2~(H~2~O)~2~](C~7~H~4~ClO~2~) ~2~
Authors of publication	J.-C. Lee; H. Takahashi; Y. Matsui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	3
Pages of publication	491 - 492
a	10.623 ± 0.003 Å
b	7.187 ± 0.003 Å
c	29.912 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2283.7 ± 1.3 Å³
Cell temperature	173.1 K
Ambient diffraction temperature	173.1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0243
Weighted residual factors for all reflections included in the refinement	0.0282
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8101840.cif
194598	2017-03-29	cif/ (antanas@echidna.ibt.lt) Replacing the "\K" substring with the "\k" substring in the values of the _chemical_name_common and _chemical_name_systematic data items in entries 7024745, 7024746, 8101840, 8101847, 8102739, 8102842.	8101840.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8101840.cif
107931	2014-03-24	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101840.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101840.cif
12579	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101840 via cif-deposit CGI script.	8101840.cif