Crystallography Open Database

Information card for entry 1503676

Preview

Coordinates	1503676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N2 Ni O
Calculated formula	C25 H30 N2 Ni O
SMILES	[Ni]1([N](=C2C(O1)=CC=CC=C2)c1c(cccc1C(C)C)C(C)C)([n]1ccccc1)C
Title of publication	Catalytic Polymerization in Dense CO2to Controlled Microstructure Polyethylenes
Authors of publication	Guironnet, Damien; Göttker-Schnetmann, Inigo; Mecking, Stefan
Journal of publication	Macromolecules
Year of publication	2009
Journal volume	42
Journal issue	21
Pages of publication	8157
a	15.7604 ± 0.0013 Å
b	8.4707 ± 0.0005 Å
c	16.8054 ± 0.0015 Å
α	90°
β	96.515 ± 0.007°
γ	90°
Cell volume	2229.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0588
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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.	1503676.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503676.cif
38975	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503676 via cif-deposit CGI script.	1503676.cif