Crystallography Open Database

Information card for entry 4087928

Preview

Coordinates	4087928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 F4 N2 Ni2 P2
Calculated formula	C36 H44 F4 N2 Ni2 P2
SMILES	c1cc(ccc1C(=[N]1[Ni]2(C)([P](C)(C)C)[N](=C(c3ccc(cc3)C)c3c(F)cccc3F)[Ni]12(C)[P](C)(C)C)c1c(F)cccc1F)C
Title of publication	Imine Nitrogen Bridged Binuclear Nickel Complexes via N‒H Bond Activation: Synthesis, Characterization, Unexpected C,N-Coupling Reaction, and Their Catalytic Application in Hydrosilylation of Aldehydes
Authors of publication	Wang, Lin; Sun, Hongjian; Li, Xiaoyan
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5175
a	22.83 ± 0.005 Å
b	36.134 ± 0.007 Å
c	8.81 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	7268 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1727
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
237131 (current)	2019-11-24	cif/ Adding structures of 4087928, 4087929, 4087930 via cif-deposit CGI script.	4087928.cif