Crystallography Open Database

Information card for entry 4075194

Preview

Coordinates	4075194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cl4 Cr Li O4
Calculated formula	C16 H32 Cl4 Cr Li O4
Title of publication	Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis
Authors of publication	McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	15
Pages of publication	3605
a	36.954 ± 0.004 Å
b	10.2303 ± 0.0012 Å
c	19.885 ± 0.002 Å
α	90°
β	117.807 ± 0.002°
γ	90°
Cell volume	6649.4 ± 1.3 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075194.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075194.cif
49111	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075192, 4075193, 4075194 via cif-deposit CGI script.	4075194.cif