Crystallography Open Database

Information card for entry 4134361

Preview

Coordinates	4134361.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	18007-NiGaL3
Formula	C39 H63 Ga N3 Ni P3
Calculated formula	C39 H63 Ga N3 Ni P3
SMILES	[Ga]123[Ni]([P](CN1c1ccccc1)(C(C)C)C(C)C)([P](CN2c1ccccc1)(C(C)C)C(C)C)[P](CN3c1ccccc1)(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	12.6 ± 0.008 Å
b	18.048 ± 0.007 Å
c	19.885 ± 0.007 Å
α	65.539 ± 0.006°
β	88.58 ± 0.02°
γ	79.34 ± 0.02°
Cell volume	4038 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0557
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4134361.cif