Crystallography Open Database

Information card for entry 4087299

Preview

Coordinates	4087299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H36 F2 Ni P2
Calculated formula	C19 H36 F2 Ni P2
SMILES	[Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)(C)c1c(F)c(F)ccc1
Title of publication	Influence of the Transmetalating Agent in Difficult Coupling Reactions: Control in the Selectivity of C‒F Bond Activation by Ni(0) Complexes in the Presence of AlMe3
Authors of publication	Baird, Drake A.; Jamal, S.; Johnson, Samuel A.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	7
Pages of publication	1436
a	23.868 ± 0.002 Å
b	8.7008 ± 0.0007 Å
c	10.7163 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2225.5 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
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
196047 (current)	2017-05-04	cif/ Adding structures of 4087296, 4087297, 4087298, 4087299, 4087300, 4087301, 4087302, 4087303 via cif-deposit CGI script.	4087299.cif