Crystallography Open Database

Information card for entry 4109918

Preview

Coordinates	4109918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H56 N2 O2 Ru2
Calculated formula	C37 H36 N2 O2 Ru2
Title of publication	Dehydrogenative Coupling of 4-Substituted Pyridines Catalyzed by Diruthenium Complexes
Authors of publication	Takashi Kawashima; Toshiro Takao; Hiroharu Suzuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11006 - 11007
a	10.1058 ± 0.0004 Å
b	13.1552 ± 0.0006 Å
c	13.5335 ± 0.0005 Å
α	90°
β	93.511 ± 0.0011°
γ	90°
Cell volume	1795.82 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109918.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109918.cif
58696	2012-05-29	cif/ Adding structures of 4109918 via cif-deposit CGI script.	4109918.cif