Crystallography Open Database

Information card for entry 4134359

Preview

Coordinates	4134359.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	19023-NiLa
Formula	C39 H63 La N3 Ni P3
Calculated formula	C39 H63 La N3 Ni P3
SMILES	c1ccccc1N1C[P](C(C)C)(C(C)C)[Ni]23[La]1(N(c1ccccc1)C[P]2(C(C)C)C(C)C)N(c1ccccc1)C[P]3(C(C)C)C(C)C
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	20.8114 ± 0.0005 Å
b	20.8114 ± 0.0005 Å
c	20.8114 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9013.7 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
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.	4134359.cif