Crystallography Open Database

Information card for entry 1513350

Preview

Coordinates	1513350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53.08 Cl10 Fe1.46 Li2 N4 O4
Calculated formula	C50 H53.0828 Cl10 Fe1.4586 Li2 N4 O4
Title of publication	Single Component Iron Catalysts for Atom Transfer and Organometallic Mediated Radical Polymerizations: Mechanistic Studies and Reaction Scope
Authors of publication	Allan, Laura E. N.; MacDonald, Jarret P.; Nichol, Gary S.; Shaver, Michael P.
Journal of publication	Macromolecules
Year of publication	2014
Journal volume	47
Journal issue	4
Pages of publication	1249
a	15.1373 ± 0.0002 Å
b	19.6216 ± 0.0003 Å
c	18.5258 ± 0.0003 Å
α	90°
β	99.2166 ± 0.0014°
γ	90°
Cell volume	5431.46 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1513350.cif
104082	2014-03-10	cif/ Adding structures of 1513350 via cif-deposit CGI script.	1513350.cif