Crystallography Open Database

Information card for entry 4071027

Preview

Coordinates	4071027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H110 N2 Ni O8 P4
Calculated formula	C94 H110 N2 Ni O8 P4
Title of publication	Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand
Authors of publication	Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2107
a	26.3678 ± 0.0008 Å
b	15.4778 ± 0.0006 Å
c	23.088 ± 0.0008 Å
α	90°
β	116.328 ± 0.002°
γ	90°
Cell volume	8445.2 ± 0.5 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1632
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178599 (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 4/07/10.	4071027.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071027.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071027.cif
43000	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071027 via cif-deposit CGI script.	4071027.cif