Crystallography Open Database

Information card for entry 4335493

Preview

Coordinates	4335493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H43 Fe N2 O2
Calculated formula	C23 H43 Fe N2 O2
SMILES	[Fe]1(OC(=CC(=[O]1)C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C
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	8.4491 ± 0.0005 Å
b	11.0002 ± 0.0006 Å
c	15.0329 ± 0.0009 Å
α	68.873 ± 0.004°
β	84.357 ± 0.004°
γ	73.185 ± 0.004°
Cell volume	1247.52 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	4335493.cif
101423	2014-02-13	cif/ Adding structures of 4335493 via cif-deposit CGI script.	4335493.cif