Crystallography Open Database

Information card for entry 4336407

Preview

Coordinates	4336407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H113 Fe7 Gd3 N29 O27
Calculated formula	C71 H99 Fe7 Gd3 N29 O27
Title of publication	Synthesis, Magnetism, and 57Fe Mössbauer Spectroscopic Study of a Family of [Ln3Fe7] Coordination Clusters (Ln = Gd, Tb, and Er)
Authors of publication	Ghulam Abbas; Yanhua Lan; Valeriu Mereacre; Gernot Buth; Moulay T. Sagrati; Fernande Grandjean; Gary J. Long; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11767 - 11777
a	14.443 ± 0.002 Å
b	17.383 ± 0.003 Å
c	21.268 ± 0.003 Å
α	91.229 ± 0.003°
β	93.576 ± 0.003°
γ	98.44 ± 0.003°
Cell volume	5269 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1063
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.2329
Weighted residual factors for all reflections included in the refinement	0.2492
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179467 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/64.	4336407.cif
102398	2014-02-20	cif/ Adding structures of 4336407 via cif-deposit CGI script.	4336407.cif