Crystallography Open Database

Information card for entry 4110515

Preview

Coordinates	4110515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Fe N8 O P
Calculated formula	C36 H26 Fe N8 O P
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	33.6916 ± 0.001 Å
b	13.9812 ± 0.001 Å
c	31.1808 ± 0.001 Å
α	90°
β	117.261 ± 0.01°
γ	90°
Cell volume	13056.3 ± 1.6 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for all reflections	0.0612
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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.	4110515.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110515.cif
59314	2012-06-05	cif/ Adding structures of 4110515 via cif-deposit CGI script.	4110515.cif