Crystallography Open Database

Information card for entry 4134360

Preview

Coordinates	4134360.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	19023-NiLa_monoclinic
Formula	C42.5 H67 La N3 Ni P3
Calculated formula	C42.5 H67 La N3 Ni P3
Title of publication	Rare-Earth Supported Nickel Catalysts for Alkyne Semihydrogenation: Chemo- and Regioselectivity Impacted by the Lewis Acidity and Size of the Support.
Authors of publication	Ramirez, Bianca L.; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	21.2562 ± 0.0012 Å
b	10.018 ± 0.0006 Å
c	39.979 ± 0.002 Å
α	90°
β	90.336 ± 0.002°
γ	90°
Cell volume	8513.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
249144 (current)	2020-03-07	cif/ Adding structures of 4134353, 4134354, 4134355, 4134356, 4134357, 4134358, 4134359, 4134360, 4134361, 4134362, 4134363 via cif-deposit CGI script.	4134360.cif