Crystallography Open Database

Information card for entry 7003433

Preview

Coordinates	7003433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H23 Cl4 N3 Ni O3
Calculated formula	C19 H23 Cl4 N3 Ni O3
SMILES	[Ni]([n]1c(CO)cccc1)([n]1c(CO)cccc1)[n]1c(CO)cccc1.[Cl-].[Cl-].ClCCl
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	10.943 ± 0.0004 Å
b	11.356 ± 0.0004 Å
c	12.321 ± 0.0005 Å
α	91.79 ± 0.002°
β	113.32 ± 0.002°
γ	118.25 ± 0.002°
Cell volume	1192.48 ± 0.09 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	0.1098
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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.	7003433.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003433.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003433.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.	7003433.cif