Crystallography Open Database

Information card for entry 4078311

Preview

Coordinates	4078311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H36 F12 N2 Ni O
Calculated formula	C42 H36 F12 N2 Ni O
Title of publication	Suppression of β-Hydride Chain Transfer in Nickel(II)-Catalyzed Ethylene Polymerization via Weak Fluorocarbon Ligand‒Product Interactions
Authors of publication	Weberski, Michael P.; Chen, Changle; Delferro, Massimiliano; Zuccaccia, Cristiano; Macchioni, Alceo; Marks, Tobin J.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3773
a	15.2118 ± 0.0005 Å
b	15.9954 ± 0.0005 Å
c	15.5796 ± 0.0005 Å
α	90°
β	91.033 ± 0.002°
γ	90°
Cell volume	3790.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178672 (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 4/07/83.	4078311.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078311.cif
59891	2012-06-14	cif/ Adding structures of 4078309, 4078310, 4078311, 4078312, 4078313 via cif-deposit CGI script.	4078311.cif