Crystallography Open Database

Information card for entry 4324664

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Structure parameters

Formula	C18 H40 Fe Li N5 Si4
Calculated formula	C18 H40 Fe Li N5 Si4
Title of publication	Iron(II) Cage Complexes of N-Heterocyclic Amide and Bis(trimethylsilyl)amide Ligands: Synthesis, Structure, and Magnetic Properties
Authors of publication	Scott A. Sulway; David Collison; Joseph J. W. McDouall; Floriana Tuna; Richard A. Layfield
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2521 - 2526
a	18.0458 ± 0.0007 Å
b	8.5059 ± 0.0003 Å
c	18.7423 ± 0.0007 Å
α	90°
β	101.276 ± 0.004°
γ	90°
Cell volume	2821.33 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324664.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324664.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324664.cif
42872	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324664 via cif-deposit CGI script.	4324664.cif