Crystallography Open Database

Information card for entry 4110516

Preview

Coordinates	4110516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Fe N8 O4 Zn0.5
Calculated formula	C12 H6 Fe N8 O4 Zn0.5
Title of publication	[Fe(bpym)(CN)4]-: A New Building Block for Designing Single-Chain Magnets
Authors of publication	Luminita Marilena Toma; Rodrigue Lescouëzec; Jorge Pasán; Catalina Ruiz-Pérez; Jacqueline Vaissermann; Joan Cano; Rosa Carrasco; Wolfgang Wernsdorfer; Francesc Lloret; Miguel Julve
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4842 - 4853
a	7.0795 ± 0.0004 Å
b	10.7418 ± 0.0005 Å
c	12.6242 ± 0.0007 Å
α	66.963 ± 0.004°
β	81.613 ± 0.005°
γ	87.057 ± 0.005°
Cell volume	874 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0601
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
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.	4110516.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110516.cif
59315	2012-06-05	cif/ Adding structures of 4110516 via cif-deposit CGI script.	4110516.cif