Crystallography Open Database

Information card for entry 4130259

Preview

Coordinates	4130259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 B2 F8 N6 Ru
Calculated formula	C30 H54 B2 F8 N6 Ru
Title of publication	Ru-Catalyzed C-H Arylation of Fluoroarenes with Aryl Halides.
Authors of publication	Simonetti, Marco; Perry, Gregory J. P.; Cambeiro, Xacobe C.; Juliá-Hernández, Francisco; Arokianathar, Jude N.; Larrosa, Igor
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	10
Pages of publication	3596 - 3606
a	10.8977 ± 0.0003 Å
b	34.0657 ± 0.0011 Å
c	11.0451 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4100.4 ± 0.2 Å³
Cell temperature	150.03 ± 0.1 K
Ambient diffraction temperature	150.03 ± 0.1 K
Number of distinct elements	6
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
240761 (current)	2019-11-25	cif/ Adding structures of 4130259 via cif-deposit CGI script.	4130259.cif