Crystallography Open Database

Information card for entry 4070619

Preview

Coordinates	4070619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Cl2 N Ni O P
Calculated formula	C14 H24 Cl2 N Ni O P
SMILES	[Ni]1(Cl)(Cl)[P](OCc2[n]1cccc2)(C(C)(C)C)C(C)(C)C
Title of publication	Mono- and Dinuclear Nickel Complexes with Phosphino-, Phosphinito-, and Phosphonitopyridine Ligands: Synthesis, Structures, and Catalytic Oligomerization of Ethylene
Authors of publication	Kermagoret, Anthony; Braunstein, Pierre
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	1
Pages of publication	88
a	8.877 ± 0.0003 Å
b	17.116 ± 0.0006 Å
c	12.018 ± 0.0005 Å
α	90°
β	102.727 ± 0.0012°
γ	90°
Cell volume	1781.14 ± 0.11 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	0.1207
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
178595 (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 4/07/06.	4070619.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070619.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070619.cif
42597	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070619 via cif-deposit CGI script.	4070619.cif