Crystallography Open Database

Information card for entry 4310666

Preview

Coordinates	4310666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl2 N Ni O2 P
Calculated formula	C20 H24 Cl2 N Ni O2 P
SMILES	[P]1([Ni]([N]2=C(OCC2(C)C)C(O1)(C)C)(Cl)Cl)(c1ccccc1)c1ccccc1
Title of publication	Nickel Complexes with New Bidentate P,N Phosphinitooxazoline and -Pyridine Ligands: Application for the Catalytic Oligomerization of Ethylene
Authors of publication	Fredy Speiser; Pierre Braunstein; Lucien Saussine; Richard Welter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1649 - 1658
a	8.999 ± 0.002 Å
b	14.579 ± 0.002 Å
c	16.535 ± 0.002 Å
α	90°
β	93.16 ± 0.05°
γ	90°
Cell volume	2166 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179145 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/06.	4310666.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310666.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310666.cif
2154	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310666 via cif-deposit CGI script.	4310666.cif