Crystallography Open Database

Information card for entry 4123834

Preview

Coordinates	4123834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 B F6 N6 Ni
Calculated formula	C17 H15 B F6 N6 Ni
Title of publication	Oxidation of Ni(II) to Ni(IV) with Aryl Electrophiles Enables Ni-Mediated Aryl-CF3 Coupling.
Authors of publication	Bour, James R.; Camasso, Nicole M.; Sanford, Melanie S.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	25
Pages of publication	8034 - 8037
a	7.7356 ± 0.0001 Å
b	8.7328 ± 0.0002 Å
c	14.9794 ± 0.0011 Å
α	98.463 ± 0.007°
β	96.208 ± 0.007°
γ	107.975 ± 0.008°
Cell volume	939.27 ± 0.09 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
140119 (current)	2015-07-05	cif/ Updating files of 4123834 Original log message: Adding full bibliography for 4123834.cif.	4123834.cif
139300	2015-06-18	cif/ Adding structures of 4123834 via cif-deposit CGI script.	4123834.cif