Crystallography Open Database

Information card for entry 4341774

Preview

Coordinates	4341774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 F12 Fe N O5
Calculated formula	C26 H27 F12 Fe N O5
Title of publication	Synthesis, Characterization, and Reactivity of Iron(III) Complexes Supported by a Trianionic ONO(3-) Pincer Ligand.
Authors of publication	Pascualini, Matias E.; Di Russo, Natali V.; Quintero, Pedro A.; Thuijs, Annaliese E.; Pinkowicz, Dawid; Abboud, Khalil A.; Dunbar, Kim R.; Christou, George; Meisel, Mark W.; Veige, Adam S.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141124145829004
a	12.2812 ± 0.0008 Å
b	13.3854 ± 0.0009 Å
c	18.4188 ± 0.0013 Å
α	77.72 ± 0.002°
β	86.605 ± 0.002°
γ	77.097 ± 0.002°
Cell volume	2883.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	0.821
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
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.	4341774.cif
128215	2014-12-06	cif/ Adding structures of 4341774, 4341775, 4341776, 4341777, 4341778 via cif-deposit CGI script.	4341774.cif