Crystallography Open Database

Information card for entry 4124743

Preview

Coordinates	4124743.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N2NiInL
Formula	C46 H68 In N6 Ni P3
Calculated formula	C46 H68 In N6 Ni P3
SMILES	[In]1234[Ni]56([P](CN3c3c([N]2(c2c(N1C[P]5(C(C)C)C(C)C)cccc2)c1c(N4C[P]6(C(C)C)C(C)C)cccc1)cccc3)(C(C)C)C(C)C)[N]#N.c1ccc(C)cc1
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	14.8145 ± 0.0003 Å
b	14.4294 ± 0.0003 Å
c	22.8207 ± 0.0004 Å
α	90°
β	95.67 ± 0.001°
γ	90°
Cell volume	4854.38 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4124743.cif