Crystallography Open Database

Information card for entry 4336408

Preview

Coordinates	4336408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.5 H124 Cl Er3 Fe7 N22 O36
Calculated formula	C65.5 H103 Cl Er3 Fe7 N22 O36
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	14.1532 ± 0.0002 Å
b	17.1938 ± 0.0004 Å
c	21.1108 ± 0.0004 Å
α	90.405 ± 0.002°
β	92.299 ± 0.001°
γ	98.269 ± 0.001°
Cell volume	5079.33 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0963
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1723
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4336408.cif
102399	2014-02-20	cif/ Adding structures of 4336408 via cif-deposit CGI script.	4336408.cif