Crystallography Open Database

Information card for entry 4325495

Preview

Coordinates	4325495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H55 Fe O3 n
Calculated formula	C37 H55 Fe N O3
SMILES	[Fe]([n]1ccccc1)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)[O]1CCCC1
Title of publication	Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles
Authors of publication	Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6174 - 6182
a	9.74 ± 0.002 Å
b	22.662 ± 0.005 Å
c	16.299 ± 0.003 Å
α	90°
β	101.432 ± 0.004°
γ	90°
Cell volume	3526.3 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0466
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325495.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325495.cif
44565	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325495 via cif-deposit CGI script.	4325495.cif