Crystallography Open Database

Information card for entry 4124741

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Coordinates	4124741.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NiInL
Formula	C39 H60 In N4 Ni P3
Calculated formula	C39 H60 In N4 Ni P3
SMILES	c12ccccc1N1C[P](C(C)C)([Ni]34[In]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C)C(C)C
Title of publication	Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.
Authors of publication	Cammarota, Ryan C.; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	39
Pages of publication	12486 - 12489
a	10.879 ± 0.002 Å
b	10.879 ± 0.002 Å
c	21.208 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	2173.7 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0774
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
170012 (current)	2015-11-05	cif/ Adding structures of 4124740, 4124741, 4124742, 4124743 via cif-deposit CGI script.	4124741.cif