Crystallography Open Database

Information card for entry 4081423

Preview

Coordinates	4081423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 Br2 Cl2 N2 Ni
Calculated formula	C47 H34 Br2 Cl2 N2 Ni
Title of publication	Synthesis of Highly Branched Polyethylene Using “Sandwich” (8-p-Tolyl naphthyl α-diimine)nickel(II) Catalysts
Authors of publication	Zhang, Danfeng; Nadres, Enrico T.; Brookhart, Maurice; Daugulis, Olafs
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	18
Pages of publication	5136
a	11.2669 ± 0.0002 Å
b	12.4336 ± 0.0002 Å
c	13.9921 ± 0.0002 Å
α	90°
β	97.921 ± 0.001°
γ	90°
Cell volume	1941.43 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178703 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/14.	4081423.cif
89231	2013-10-09	cif/ Adding structures of 4081423 via cif-deposit CGI script.	4081423.cif