Crystallography Open Database

Information card for entry 4109034

Preview

Coordinates	4109034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H51 F6 Ni3 P3
Calculated formula	C36 H31 F6 Ni3 P3
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	12.42 ± 0.003 Å
b	14.719 ± 0.003 Å
c	21.426 ± 0.005 Å
α	90°
β	95.076 ± 0.004°
γ	90°
Cell volume	3901.5 ± 1.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
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.	4109034.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109034.cif
57785	2012-05-21	cif/ Adding structures of 4109034 via cif-deposit CGI script.	4109034.cif