Crystallography Open Database

Information card for entry 4109032

Preview

Coordinates	4109032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 F4 Ni2 P4
Calculated formula	C30 H52 F4 Ni2 P4
Title of publication	1,4-Shifts in a Dinuclear Ni(I) Biarylyl Complex: A Mechanistic Study of C-H Bond Activation by Monovalent Nickel
Authors of publication	Alana L. Keen; Meghan Doster; Samuel A. Johnson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	810 - 819
a	19.576 ± 0.002 Å
b	28.862 ± 0.003 Å
c	13.9109 ± 0.0015 Å
α	90°
β	117.108 ± 0.001°
γ	90°
Cell volume	6996.3 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0735
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.234
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
178836 (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 4/10/90.	4109032.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109032.cif
57783	2012-05-21	cif/ Adding structures of 4109032 via cif-deposit CGI script.	4109032.cif