Crystallography Open Database

Information card for entry 4087521

Preview

Coordinates	4087521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 F4 Ni P2
Calculated formula	C40 H34 F4 Ni P2
SMILES	[Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C(F)(F)C(F)(F)CC1
Title of publication	2,2,3,3-Tetrafluoronickelacyclopentanes Generated via the Oxidative Cyclization of Tetrafluoroethylene and Simple Alkenes: A Key Intermediate in Nickel-Catalyzed C‒C Bond-Forming Reactions
Authors of publication	Ohashi, Masato; Kawashima, Takuya; Taniguchi, Tomoaki; Kikushima, Kotaro; Ogoshi, Sensuke
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1604
a	9.532 ± 0.0003 Å
b	36.1812 ± 0.0011 Å
c	9.6015 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3311.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0309
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236836 (current)	2019-11-24	cif/ Adding structures of 4087521, 4087522 via cif-deposit CGI script.	4087521.cif