Crystallography Open Database

Information card for entry 4081773

Preview

Coordinates	4081773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.5 H80.5 Cl N2 Ni
Calculated formula	C85.5 H77 Cl N2 Ni
Title of publication	Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis
Authors of publication	Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6265
a	12.8446 ± 0.001 Å
b	16.1593 ± 0.0013 Å
c	18.9313 ± 0.0015 Å
α	111.301 ± 0.008°
β	96.946 ± 0.007°
γ	99.036 ± 0.007°
Cell volume	3547.2 ± 0.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.3052
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4081773.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081773.cif
91760	2013-12-13	cif/ Adding structures of 4081770, 4081771, 4081772, 4081773, 4081774 via cif-deposit CGI script.	4081773.cif