Crystallography Open Database

Information card for entry 4335494

Preview

Coordinates	4335494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Fe
Calculated formula	C28 Fe
SMILES	C12([Fe](C34C5C4CC(C3)C5)(C34C5C4CC(C3)C5)C34CC5C(C3)C5C4)CC3C(C2)C3C1
Title of publication	Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex
Authors of publication	Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8218 - 8227
a	11.771 ± 0.0005 Å
b	10.0996 ± 0.0004 Å
c	9.7652 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1160.91 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.1353
Residual factor for significantly intense reflections	0.1339
Weighted residual factors for significantly intense reflections	0.356
Weighted residual factors for all reflections included in the refinement	0.3659
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
179457 (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 4/33/54.	4335494.cif
101424	2014-02-13	cif/ Adding structures of 4335494 via cif-deposit CGI script.	4335494.cif