Crystallography Open Database

Information card for entry 4117352

Preview

Coordinates	4117352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H92 N4 Ni2 O2
Calculated formula	C70.5 H92 N4 Ni2 O2
Title of publication	Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases
Authors of publication	Madalyn R. Radlauer; Michael W. Day; Theodor Agapie
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	1478 - 1481
a	17.1455 ± 0.001 Å
b	18.0109 ± 0.001 Å
c	23.4009 ± 0.0013 Å
α	70.258 ± 0.003°
β	72.094 ± 0.003°
γ	84.191 ± 0.003°
Cell volume	6472.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.277
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4117352.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117352.cif
74428	2013-02-27	cif/ Adding structures of 4117352 via cif-deposit CGI script.	4117352.cif