Crystallography Open Database

Information card for entry 7113032

Preview

Coordinates	7113032.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Fe(III)2Ni(II)2(CN)6(tp)2((R)-pabn))((S)-pabn)](PF6)2.H2O.4CH3CN
Formula	C96 H86 B2 F12 Fe2 N30 Ni2 O P2
Calculated formula	C96 H84 B2 F12 Fe2 N30 Ni2 O P2
Title of publication	Achiral single molecule magnet and chiral single chain magnet.
Authors of publication	Hoshino, Norihisa; Sekine, Yoshihiro; Nihei, Masayuki; Oshio, Hiroki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	33
Pages of publication	6117 - 6119
a	9.212 ± 0.004 Å
b	13.535 ± 0.006 Å
c	20.115 ± 0.009 Å
α	101.84 ± 0.006°
β	92.846 ± 0.006°
γ	100.063 ± 0.006°
Cell volume	2407.4 ± 1.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1917
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2614
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
180244 (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 7/11/30.	7113032.cif
112215	2014-04-30	cif/ Adding structures of 7113032, 7113033 via cif-deposit CGI script.	7113032.cif