Crystallography Open Database

Information card for entry 7212717

Preview

Coordinates	7212717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 B2 Fe3 N22 O5
Calculated formula	C42 H58 B2 Fe3 N20 O2
Title of publication	Single chain magnet of a cyanide bridged FeII/FeIII complex
Authors of publication	Mitsumoto, Kiyotaka; Ui, Mayumi; Nihei, Masayuki; Nishikawa, Hiroyuki; Oshio, Hiroki
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	2697
a	11.59 ± 0.003 Å
b	13.984 ± 0.004 Å
c	20.498 ± 0.006 Å
α	105.457 ± 0.006°
β	105.167 ± 0.006°
γ	91.229 ± 0.007°
Cell volume	3075.6 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.154
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2177
Weighted residual factors for all reflections included in the refinement	0.2433
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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
180458 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/27.	7212717.cif
93247	2014-01-12	cif/ Adding structures of 7212717 via cif-deposit CGI script.	7212717.cif