Crystallography Open Database

Information card for entry 4109919

Preview

Coordinates	4109919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H45 N2 P Ru2
Calculated formula	C32 H45 N2 P Ru2
SMILES	[Ru]1234567([H][Ru]89%10%11%12([P]1(C)C)([CH]1[CH]3=[CH]2C(=N[CH]8=1)c1ncccc1)[c]1([c]9([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
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	9.0276 ± 0.0006 Å
b	9.6462 ± 0.0005 Å
c	18.1425 ± 0.0009 Å
α	96.3139 ± 0.0015°
β	94.4097 ± 0.0018°
γ	103.372 ± 0.0019°
Cell volume	1519.16 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4109919.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109919.cif
58697	2012-05-29	cif/ Adding structures of 4109919 via cif-deposit CGI script.	4109919.cif