Crystallography Open Database

Information card for entry 1560039

Preview

Coordinates	1560039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 N4 Ni P2
Calculated formula	C34 H48 N4 Ni P2
SMILES	[Ni]123[P]4(N(C(C)C)CCN4C(C)C)c4c(c5[cH]3[cH]1c(cc5)c1c([P]32N(C(C)C)CCN3C(C)C)cccc1)cccc4
Title of publication	Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst
Authors of publication	Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	8
Pages of publication	2909 - 2915
a	10.1955 ± 0.0003 Å
b	10.3773 ± 0.0003 Å
c	16.0898 ± 0.0006 Å
α	76.412 ± 0.003°
β	80.446 ± 0.003°
γ	88.451 ± 0.003°
Cell volume	1631.6 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263682 (current)	2021-04-05	cif/ Updating files of 1560037, 1560038, 1560039, 1560040 Original log message: Adding full bibliography for 1560037--1560040.cif.	1560039.cif
260900	2021-01-12	cif/ Adding structures of 1560037, 1560038, 1560039, 1560040 via cif-deposit CGI script.	1560039.cif