Crystallography Open Database

Information card for entry 4519002

4519001 << 4519002 >> 4519003

Preview

Coordinates	4519002.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(COD)NiI]2
Formula	C16 H24 I2 Ni2
Calculated formula	C16 H24 I2 Ni2
Title of publication	Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)
Authors of publication	Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	16
Pages of publication	10208 - 10222
a	7.4617 ± 0.0017 Å
b	10.686 ± 0.002 Å
c	10.939 ± 0.003 Å
α	90°
β	97.511 ± 0.01°
γ	90°
Cell volume	864.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0414
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
268427 (current)	2021-09-03	cif/ Adding structures of 4518997, 4518998, 4518999, 4519000, 4519001, 4519002 via cif-deposit CGI script.	4519002.cif