Crystallography Open Database

Information card for entry 7003430

Preview

Coordinates	7003430.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H56 Cl4 N4 Ni2 O8
Calculated formula	C30 H56 Cl4 N4 Ni2 O8
SMILES	C1C2=[N](C(CO2)(C)C)[Ni]23([OH]1)([N]1=C(C[OH]2)OCC1(C)C)[Cl][Ni]12([N]4=C(C[OH]1)OCC4(C)C)([N]1=C(C[OH]2)OCC1(C)C)[Cl]3.C1CCCCC1.[Cl-].[Cl-]
Title of publication	Synthesis of nickel complexes with bidentate N,O-type ligands and application in the catalytic oligomerization of ethylene
Authors of publication	Kermagoret, Anthony; Braunstein, Pierre
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	12
Pages of publication	1564 - 1573
a	9.519 ± 0.002 Å
b	10.696 ± 0.002 Å
c	10.759 ± 0.003 Å
α	79.71 ± 0.05°
β	66.07 ± 0.05°
γ	72.39 ± 0.05°
Cell volume	952.4 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1923
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179738 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/34.	7003430.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003430.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003430.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003430.cif