Crystallography Open Database

Information card for entry 4126510

Preview

Coordinates	4126510.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LGaNi(CO2H)][PPN]
Formula	C76 H91 Ga N5 Ni O2 P5
Calculated formula	C76 H91 Ga N5 Ni O2 P5
Title of publication	A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride.
Authors of publication	Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	11.2791 ± 0.0006 Å
b	15.7374 ± 0.001 Å
c	20.7033 ± 0.0013 Å
α	100.669 ± 0.002°
β	105.203 ± 0.002°
γ	92.85 ± 0.002°
Cell volume	3466.2 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
201471 (current)	2017-09-29	cif/ Adding structures of 4126510 via cif-deposit CGI script.	4126510.cif