Crystallography Open Database

Information card for entry 4310667

Preview

Coordinates	4310667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 N Ni O P
Calculated formula	C20 H20 Cl2 N Ni O P
SMILES	[Ni]1([P](OC(c2[n]1cccc2)(C)C)(c1ccccc1)c1ccccc1)(Cl)Cl
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	9.151 ± 0.005 Å
b	10.262 ± 0.005 Å
c	11.874 ± 0.005 Å
α	99.291 ± 0.005°
β	108.428 ± 0.005°
γ	98.439 ± 0.005°
Cell volume	1020.4 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1283
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71069 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.	4310667.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310667.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310667.cif
2155	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310667 via cif-deposit CGI script.	4310667.cif