Crystallography Open Database

Information card for entry 7031768

Preview

Coordinates	7031768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Br2 Fe N3 O
Calculated formula	C20 H28 Br2 Fe N3 O
SMILES	Br[Fe]12(Br)[N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)CCc2c[nH]c[n]12
Title of publication	(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.
Authors of publication	Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	37
Pages of publication	13913 - 13923
a	7.931 ± 0.002 Å
b	14.457 ± 0.004 Å
c	20.04 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2297.8 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180023 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17.	7031768.cif
123472	2014-09-08	cif/ Updating files of 7031766, 7031767, 7031768 Original log message: Adding full bibliography for 7031766--7031768.cif.	7031768.cif
120869	2014-07-29	cif/ Adding structures of 7031766, 7031767, 7031768 via cif-deposit CGI script.	7031768.cif