Crystallography Open Database

Information card for entry 4069555

Preview

Coordinates	4069555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H25 Br2 Fe N3 S
Calculated formula	C26 H24 Br2 Fe N3 S
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	15.844 ± 0.003 Å
b	8.5836 ± 0.0017 Å
c	18.715 ± 0.004 Å
α	90°
β	94.205 ± 0.004°
γ	90°
Cell volume	2538.4 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069555.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069555.cif
40333	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069555 via cif-deposit CGI script.	4069555.cif