Crystallography Open Database

Information card for entry 4311310

Preview

Coordinates	4311310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H60 Cl4 N4 Ni2 O8
Calculated formula	C32 H60 Cl4 N4 Ni2 O8
SMILES	C12=[N](C(C)(C)CO2)[Ni]23([N]4C(COC=4C([OH]2)(C)C)(C)C)([OH]C1(C)C)[Cl][Ni]12([N]4=C(C(C)(C)[OH]1)OCC4(C)C)([N]1C(COC=1C([OH]2)(C)C)(C)C)[Cl]3.[Cl-].[Cl-]
Title of publication	Dinuclear Nickel Complexes with Bidentate N,O Ligands: Synthesis, Structure, and Catalytic Oligomerization of Ethylene
Authors of publication	Fredy Speiser; Pierre Braunstein; Lucien Saussine
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4234 - 4240
a	10.018 ± 0.005 Å
b	10.698 ± 0.005 Å
c	11.48 ± 0.005 Å
α	74.896 ± 0.005°
β	64.424 ± 0.005°
γ	76.629 ± 0.005°
Cell volume	1061.4 ± 0.9 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	0.0867
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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
179152 (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 4/31/13.	4311310.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311310.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311310.cif
2805	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311310 via cif-deposit CGI script.	4311310.cif