Crystallography Open Database

Information card for entry 8102866

Preview

Coordinates	8102866.cif

Structure parameters

Chemical name	Diaquabis(ethylenediamino)copper(II) squarate dihydrate
Formula	C8 H24 Cu N4 O8
Calculated formula	C8 H24 Cu N4 O8
Title of publication	Crystal structure of diaquabis(ethylenediamino)copper(II) squarate dihydrate, [Cu(C2H8N2)2(H2O)2](C4O4) · 2H2O
Authors of publication	Hanne Nuss; Martin Jansen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	4
Pages of publication	773
a	8.0183 ± 0.0005 Å
b	7.9228 ± 0.0004 Å
c	11.8272 ± 0.0007 Å
α	90°
β	94.338 ± 0.001°
γ	90°
Cell volume	749.2 ± 0.07 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102866.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102866.cif
13605	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102866 via cif-deposit CGI script.	8102866.cif