Crystallography Open Database

Information card for entry 7052906

Preview

Coordinates	7052906.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(μ-amino-ethanolato-κN,O:O)-dibromido-tricopper(II)
Formula	C8 H24 Br2 Cu3 N4 O4
Calculated formula	C8 H24 Br2 Cu3 N4 O4
Title of publication	Hydrophobic-exterior layer structures and magnetic properties of trinuclear copper complexes with chiral amino alcoholate ligands
Authors of publication	Maclaren, Jana K.; Sanchiz, Joaquín; Gili, Pedro; Janiak, Christoph
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	8
Pages of publication	1596
a	8.7424 ± 0.0002 Å
b	8.9246 ± 0.0002 Å
c	11.6251 ± 0.0003 Å
α	90°
β	108.592 ± 0.001°
γ	90°
Cell volume	859.68 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0473
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180083 (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 7/05/29.	7052906.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052906.cif
64376	2012-08-12	cif/ Adding structures of 7052906, 7052907, 7052908, 7052909, 7052910 via cif-deposit CGI script.	7052906.cif