Crystallography Open Database

Information card for entry 7032478

Preview

Coordinates	7032478.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(Tetraethylammonium) tetrakis(μ~3~-salicylhydroximato-N,O,O,O',O'')-penta-copper(ii)
Formula	C40 H48 Cu5 N6 O12
Calculated formula	C40 H48 Cu5 N6 O12
Title of publication	Enforcement of a high-spin ground state for the first 3d heterometallic 12-metallacrown-4 complex.
Authors of publication	Happ, Peter; Rentschler, Eva
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	41
Pages of publication	15308 - 15312
a	9.5697 ± 0.0007 Å
b	18.808 ± 0.0013 Å
c	11.8032 ± 0.0009 Å
α	90°
β	107.039 ± 0.002°
γ	90°
Cell volume	2031.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0476
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180030 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/24.	7032478.cif
124824	2014-10-06	cif/ Updating files of 7032478, 7032479 Original log message: Adding full bibliography for 7032478--7032479.cif.	7032478.cif
123659	2014-09-10	cif/ Adding structures of 7032478, 7032479 via cif-deposit CGI script.	7032478.cif