Crystallography Open Database

Information card for entry 4123944

Preview

Coordinates	4123944.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hj4164
Formula	C65 H78 N2 O Ru Si
Calculated formula	C65 H78 N2 O Ru Si
Title of publication	Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes.
Authors of publication	Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	28
Pages of publication	9186 - 9194
a	12.3695 ± 0.0006 Å
b	21.8417 ± 0.001 Å
c	21.5457 ± 0.0011 Å
α	90°
β	105.723 ± 0.002°
γ	90°
Cell volume	5603.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
152857 (current)	2015-08-05	cif/ Updating files of 4123944, 4123945, 4123946, 4123947 Original log message: Adding full bibliography for 4123944--4123947.cif.	4123944.cif
141517	2015-07-10	cif/ Adding structures of 4123944 via cif-deposit CGI script.	4123944.cif