Crystallography Open Database

Information card for entry 4114064

Preview

Coordinates	4114064.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu(hfac)2(PyrimPhNIT)]2
Formula	C48 H36 Cu2 F24 N6 O10
Calculated formula	C48 H36 Cu2 F24 N6 O10
Title of publication	Manganese(II) and Copper(II) Hexafluoroacetylacetonate 1:1 Complexes with 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine: Regiochemical Parity Analysis for Exchange Behavior of Complexes between Radicals and Paramagnetic Cations
Authors of publication	Lora M. Field; Paul M. Lahti; Fernando Palacio; Armando Paduan-Filho
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10110 - 10118
a	13.505 ± 0.0002 Å
b	14.5352 ± 0.0002 Å
c	33.6543 ± 0.0005 Å
α	90°
β	100.954 ± 0.0005°
γ	90°
Cell volume	6485.91 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1475
Residual factor for significantly intense reflections	0.128
Weighted residual factors for significantly intense reflections	0.3634
Weighted residual factors for all reflections included in the refinement	0.3732
Goodness-of-fit parameter for all reflections included in the refinement	2.798
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
178911 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/40.	4114064.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114064.cif
67342	2012-09-20	cif/ Adding structures of 4114064 via cif-deposit CGI script.	4114064.cif