Crystallography Open Database

Information card for entry 4119929

4119928 << 4119929 >> 4119930

Preview

Coordinates	4119929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H52 B Br P2 Ru
Calculated formula	C51 H52 B Br P2 Ru
Title of publication	A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis
Authors of publication	Michael P. Boone; Douglas W. Stephan
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	8508 - 8511
a	11.9774 ± 0.0005 Å
b	12.7147 ± 0.0006 Å
c	14.4141 ± 0.0007 Å
α	94.881 ± 0.002°
β	99.001 ± 0.002°
γ	105.431 ± 0.002°
Cell volume	2071.33 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178970 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99.	4119929.cif
104575	2014-03-11	cif/ Adding structures of 4119929 via cif-deposit CGI script.	4119929.cif