Crystallography Open Database

Information card for entry 7053040

Preview

Coordinates	7053040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H114 F48 I4 Mn4 N16 O29
Calculated formula	C124 H114 F48 I4 Mn4 N16 O29
Title of publication	Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism
Authors of publication	Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	7
Pages of publication	1927
a	49.475 ± 0.0008 Å
b	16.483 ± 0.0003 Å
c	22.224 ± 0.0004 Å
α	90 ± 0.001°
β	115.247 ± 0.001°
γ	90 ± 0.001°
Cell volume	16392.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0878
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
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
180084 (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 7/05/30.	7053040.cif
86992	2013-07-12	cif/ Adding structures of 7053039, 7053040 via cif-deposit CGI script.	7053040.cif