Crystallography Open Database

Information card for entry 4122539

Preview

Coordinates	4122539.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hj4057
Formula	C54.5 H67 Br N2 O Ru Si
Calculated formula	C54.5 H67 Br N2 O Ru Si
Title of publication	Cyclometalated N-Heterocyclic Carbene Complexes of Ruthenium for Access to Electron-Rich Silylene Complexes That Bind the Lewis Acids CuOTf and AgOTf.
Authors of publication	Liu, Hsueh-Ju; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	32
Pages of publication	11473 - 11482
a	46.2094 ± 0.0015 Å
b	12.0283 ± 0.0004 Å
c	19.2661 ± 0.0006 Å
α	90°
β	109.314 ± 0.002°
γ	90°
Cell volume	10105.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0658
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4122539.cif
122751	2014-09-04	cif/ Adding structures of 4122539 via cif-deposit CGI script.	4122539.cif