Crystallography Open Database

Information card for entry 4105258

Preview

Coordinates	4105258.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chlorido{2,6-bis[1-(2,6-diisopropylphenylimino-κ<i>N</i>)ethyl]pyridine- κ<i>N</i>(.1-)}nickel(II)‒toluene (1/2)
Formula	C47 H59 Cl N3 Ni
Calculated formula	C47 H59 Cl N3 Ni
Title of publication	Reaction of a Redox-Active Ligand Complex of Nickel with Dioxygen Probes Ligand-Radical Character
Authors of publication	Tony D. Manuel; Jan-Uwe Rohde
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	15582 - 15583
a	19.115 ± 0.002 Å
b	13.0015 ± 0.0014 Å
c	19.112 ± 0.002 Å
α	90°
β	113.704 ± 0.005°
γ	90°
Cell volume	4349.1 ± 0.8 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.1343
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178798 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52.	4105258.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105258.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105258.cif
30452	2011-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4105258 via cif-deposit CGI script.	4105258.cif