Crystallography Open Database

Information card for entry 4070618

Preview

Coordinates	4070618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cl4 N2 Ni2 P2
Calculated formula	C38 H36 Cl4 N2 Ni2 P2
SMILES	[n]12ccccc1CC[P]([Ni]12(Cl)[Cl][Ni]2([Cl]1)([n]1ccccc1CC[P]2(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1
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	20.425 ± 0.0008 Å
b	15.508 ± 0.0007 Å
c	11.904 ± 0.0006 Å
α	90°
β	103.913 ± 0.0016°
γ	90°
Cell volume	3660 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.148
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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.	4070618.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070618.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070618.cif
42596	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070618 via cif-deposit CGI script.	4070618.cif