Crystallography Open Database

Information card for entry 7111685

Preview

Coordinates	7111685.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Octa-Fe4Ni4
Formula	C116 H212 B4 Cl4 Fe4 N56 Ni4 O24
Calculated formula	C116 H200 B4 Cl4 Fe4 N56 Ni4 O24
Title of publication	A cyano-based octanuclear {FeIII4NiII4} single-molecule magnet
Authors of publication	Zhang, Yuanzhu; Mallik, Uma Prasad; Rath, Nigam; Yee, Gordon T.; Clérac, Rodolphe; Holmes, Stephen M.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	27
Pages of publication	4953 - 4955
a	14.0577 ± 0.001 Å
b	14.5679 ± 0.0011 Å
c	23.412 ± 0.0018 Å
α	75.052 ± 0.003°
β	77.373 ± 0.003°
γ	62.117 ± 0.003°
Cell volume	4067.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1897
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111685.cif
96734	2014-01-29	cif/ Adding structures of 7111684, 7111685 via cif-deposit CGI script.	7111685.cif