Crystallography Open Database

Information card for entry 4111497

Preview

Coordinates	4111497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 Fe Mn2 N11 O8
Calculated formula	C50 H36 Fe Mn2 N11 O8
Title of publication	Single-Chain Magnet (NEt4)[Mn2(5-MeOsalen)2Fe(CN)6] Made of MnIII-FeIII-MnIII Trinuclear Single-Molecule Magnet with an ST=9/2 Spin Ground State
Authors of publication	Marilena Ferbinteanu; Hitoshi Miyasaka; Wolfgang Wernsdorfer; Kazuya Nakata; Ken-ichi Sugiura; Masahiro Yamashita; Claude Coulon; Rodolphe Clérac
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3090 - 3099
a	9.877 ± 0.003 Å
b	11.162 ± 0.004 Å
c	12.536 ± 0.005 Å
α	87.32 ± 0.02°
β	70.98 ± 0.02°
γ	74.77 ± 0.02°
Cell volume	1259.6 ± 0.8 Å³
Cell temperature	117.1 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 significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.148
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4111497.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111497.cif
63097	2012-07-18	cif/ Adding structures of 4111497 via cif-deposit CGI script.	4111497.cif