Crystallography Open Database

Information card for entry 4117820

Preview

Coordinates	4117820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H69 F6 N O2 P4 Ru Si
Calculated formula	C47 H69 F6 N O2 P4 Ru Si
Title of publication	A Ru(I) Metalloradical That Catalyzes Nitrene Coupling to Azoarenes from Arylazides
Authors of publication	Ayumi Takaoka; Marc-Etienne Moret; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	6695 - 6706
a	12.6608 ± 0.0006 Å
b	13.329 ± 0.0006 Å
c	28.9276 ± 0.0013 Å
α	90°
β	92.074 ± 0.002°
γ	90°
Cell volume	4878.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.056
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178949 (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 4/11/78.	4117820.cif
74946	2013-03-05	cif/ Adding structures of 4117820 via cif-deposit CGI script.	4117820.cif