Crystallography Open Database

Information card for entry 7113033

Preview

Coordinates	7113033.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	catena-[Ni(II)((R)-pabn))][Fe(III)(tp)(CN)3]PF6.2MeOH
Formula	C46 H44 B F6 Fe N13 Ni O2 P
Calculated formula	C46 H44 B F6 Fe N13 Ni O2 P
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	10.6762 ± 0.0009 Å
b	17.5426 ± 0.0015 Å
c	25.176 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4715.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	7113033.cif
112215	2014-04-30	cif/ Adding structures of 7113032, 7113033 via cif-deposit CGI script.	7113033.cif