Crystallography Open Database

Information card for entry 4324663

Preview

Coordinates	4324663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H92 Fe3 N14 Si4
Calculated formula	C47 H92 Fe3 N14 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	22.522 ± 0.004 Å
b	14.455 ± 0.003 Å
c	17.979 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5853.2 ± 1.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	273 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.139
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179349 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324663.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324663.cif
42870	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324663 via cif-deposit CGI script.	4324663.cif