Crystallography Open Database

Information card for entry 4324477

Preview

Coordinates	4324477.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe4(N-p-Tol)4(SMes)4, tetragonal form
Formula	C67 H75 Fe4 N4 S4
Calculated formula	C67 H75 Fe4 N4 S4
Title of publication	Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes
Authors of publication	Michael J. Zdilla; Atul K. Verma; Sonny C. Lee
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1551 - 1562
a	17.1488 ± 0.0008 Å
b	17.1488 ± 0.0008 Å
c	43.475 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	12785.2 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for all reflections	0.099
Weighted residual factors for significantly intense reflections	0.0872
Goodness-of-fit parameter for all reflections	1.02
Goodness-of-fit parameter for significantly intense reflections	1.078
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
179347 (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 4/32/44.	4324477.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324477.cif
41185	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324477 via cif-deposit CGI script.	4324477.cif