Crystallography Open Database

Information card for entry 1516451

Preview

Coordinates	1516451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 N2 O2 Si2
Calculated formula	C42 H58 N2 O2 Si2
SMILES	c1(c(C(C)C)cccc1C(C)C)/N=C/c1ccc2c(c1O[Si](C)(C)C)c(c(cc2)/C=N/c1c(C(C)C)cccc1C(C)C)O[Si](C)(C)C
Title of publication	Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts
Authors of publication	Salata, Michael R.; Marks, Tobin J.
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	6
Pages of publication	1920
a	26.914 ± 0.006 Å
b	9.765 ± 0.002 Å
c	16.289 ± 0.004 Å
α	90°
β	109.311 ± 0.003°
γ	90°
Cell volume	4040.1 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516451.cif
114874	2014-05-29	cif/ Adding structures of 1516451 via cif-deposit CGI script.	1516451.cif