Crystallography Open Database

Information card for entry 4068097

Preview

Coordinates	4068097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 Br2 N Ni O P
Calculated formula	C22 H38 Br2 N Ni O P
SMILES	[Ni]1(Br)(Br)[P](OC(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C(C)(C)C)C(C)(C)C
Title of publication	Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts
Authors of publication	Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	1006
a	11.2189 ± 0.0009 Å
b	14.3721 ± 0.0012 Å
c	15.8988 ± 0.0011 Å
α	90°
β	95.171 ± 0.002°
γ	90°
Cell volume	2553.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0755
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1607
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
178506 (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 4/06/80.	4068097.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068097.cif
38082	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068095, 4068096, 4068097, 4068098, 4068099, 4068100 via cif-deposit CGI script.	4068097.cif