Crystallography Open Database

Information card for entry 4123947

Preview

Coordinates	4123947.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hj6112
Formula	C51 H67 N3 O2 Ru S Si
Calculated formula	C51 H67 N3 O2 Ru S Si
SMILES	C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]12345([c]6(C)[c]1([c]2(C)[c]3(C)[c]46C)C)[H][Si](N=S([O-])(=O)c1ccc(C)cc1)(c1c(C(C)C)cc(C(C)C)cc1C(C)C)[H]5
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	15.5731 ± 0.0012 Å
b	15.6694 ± 0.0013 Å
c	21.6607 ± 0.0016 Å
α	90°
β	96.084 ± 0.004°
γ	90°
Cell volume	5255.9 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0602
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
152857 (current)	2015-08-05	cif/ Updating files of 4123944, 4123945, 4123946, 4123947 Original log message: Adding full bibliography for 4123944--4123947.cif.	4123947.cif
141520	2015-07-10	cif/ Adding structures of 4123947 via cif-deposit CGI script.	4123947.cif