Crystallography Open Database

Information card for entry 4069556

Preview

Coordinates	4069556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.5 H19 Br2 Fe N5 O0.5
Calculated formula	C15.5 H18.5 Br2 Fe N5 O0.5
Title of publication	Ethylene Oligomerization Using First-Row Transition Metal Complexes Featuring Heterocyclic Variants of Bis(imino)pyridine Ligands
Authors of publication	Tenza, Kenny; Hanton, Martin J.; Slawin, Alexandra M. Z.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4852
a	7.997 ± 0.002 Å
b	13.336 ± 0.004 Å
c	17.919 ± 0.005 Å
α	90°
β	98.658 ± 0.008°
γ	90°
Cell volume	1889.2 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.0794
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	4069556.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069556.cif
40334	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069556 via cif-deposit CGI script.	4069556.cif