Crystallography Open Database

Information card for entry 7118216

Preview

Coordinates	7118216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H96 N6 P4 Rh2
Calculated formula	C98 H96 N6 P4 Rh2
Title of publication	Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride (1)H NMR chemical shift.
Authors of publication	Hänninen, Mikko M; Zamora, Matthew T.; MacNeil, Connor S.; Knott, Jackson P.; Hayes, Paul G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	3
Pages of publication	586 - 589
a	42.986 ± 0.011 Å
b	17.237 ± 0.004 Å
c	27.577 ± 0.009 Å
α	90°
β	119.527 ± 0.005°
γ	90°
Cell volume	17779 ± 8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
171856 (current)	2016-01-01	cif/ Adding structures of 7118213, 7118214, 7118215, 7118216, 7118217 via cif-deposit CGI script.	7118216.cif