Crystallography Open Database

Information card for entry 4119245

4119244 << 4119245 >> 4119246

Preview

Coordinates	4119245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H61 Cl Ni P2
Calculated formula	C43 H61.006 Cl Ni P2
Title of publication	Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes
Authors of publication	Eric A. Standley; Timothy F. Jamison
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1585 - 1592
a	10.5776 ± 0.0007 Å
b	12.2542 ± 0.0008 Å
c	17.3312 ± 0.0011 Å
α	103.885 ± 0.001°
β	94.529 ± 0.001°
γ	113.747 ± 0.001°
Cell volume	1956.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119245.html