Crystallography Open Database

Information card for entry 4064213

Preview

Coordinates	4064213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H72 Cl6 N4 Ni O2
Calculated formula	C55 H72 Cl6 N4 Ni O2
Title of publication	Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes
Authors of publication	Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1677
a	16.445 ± 0.005 Å
b	21.327 ± 0.007 Å
c	16.116 ± 0.005 Å
α	90°
β	95 ± 4°
γ	90°
Cell volume	5631 ± 3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 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	0.1195
Residual factor for significantly intense reflections	0.1051
Weighted residual factors for significantly intense reflections	0.2535
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178536 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42.	4064213.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064213.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064213.cif
32817	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064210, 4064211, 4064212, 4064213 via cif-deposit CGI script.	4064213.cif