Crystallography Open Database

Information card for entry 4069557

Preview

Coordinates	4069557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl4 Co N3 S
Calculated formula	C20 H19 Cl4 Co 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	12.278 ± 0.005 Å
b	15.519 ± 0.006 Å
c	12.767 ± 0.005 Å
α	90°
β	102.929 ± 0.008°
γ	90°
Cell volume	2371 ± 1.6 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 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	0.1566
Residual factor for significantly intense reflections	0.1226
Weighted residual factors for significantly intense reflections	0.275
Weighted residual factors for all reflections included in the refinement	0.295
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	4069557.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069557.cif
40335	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069557 via cif-deposit CGI script.	4069557.cif