Crystallography Open Database

Information card for entry 1567877

Preview

Coordinates	1567877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Ni P4
Calculated formula	C52 H52 Ni P4
SMILES	[Ni]([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)C
Title of publication	Enabling Suzuki-Miyaura coupling of Lewis-basic arylboronic esters with a nonprecious metal catalyst.
Authors of publication	Haibach, Michael C.; Ickes, Andrew R.; Tcyrulnikov, Sergei; Shekhar, Shashank; Monfette, Sebastien; Swiatowiec, Rafal; Kotecki, Brian J.; Wang, Jason; Wall, Amanda L.; Henry, Rodger F.; Hansen, Eric C.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	43
Pages of publication	12906 - 12912
a	10.507 ± 0.005 Å
b	13.045 ± 0.006 Å
c	16.585 ± 0.008 Å
α	81.696 ± 0.006°
β	80.885 ± 0.006°
γ	84.254 ± 0.006°
Cell volume	2214 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.1119
Weighted residual factors for significantly intense reflections	0.3004
Weighted residual factors for all reflections included in the refinement	0.3129
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
280171 (current)	2023-01-06	cif/ Updating files of 1567877, 1567878 Original log message: Adding full bibliography for 1567877--1567878.cif.	1567877.cif
278866	2022-10-29	cif/ Adding structures of 1567877, 1567878 via cif-deposit CGI script.	1567877.cif