Crystallography Open Database

Information card for entry 7052909

Preview

Coordinates	7052909.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis[bis(μ-(R)-2-amino-butan-1-olato-κN,O:O)-dibromido-dicopper(II)]- bis[((R)-2-amino-butan-1-ol-κN,O)-dibromido-ethanol-copper(II)]
Formula	C28 H74 Cl8 Cu6 N6 O8
Calculated formula	C28 H74 Cl8 Cu6 N6 O8
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	10.3649 ± 0.0003 Å
b	12.7064 ± 0.0003 Å
c	19.3781 ± 0.0005 Å
α	90°
β	92.255 ± 0.002°
γ	90°
Cell volume	2550.13 ± 0.12 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.096
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	7052909.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052909.cif
64376	2012-08-12	cif/ Adding structures of 7052906, 7052907, 7052908, 7052909, 7052910 via cif-deposit CGI script.	7052909.cif