Crystallography Open Database

Information card for entry 4067377

Preview

Coordinates	4067377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl2 N3 P Ru
Calculated formula	C28 H36 Cl2 N3 P Ru
SMILES	[Ru]12(Cl)(Cl)([P](C)(C)C)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C)C)C)C)c1c(cccc1C)C
Title of publication	Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand
Authors of publication	Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	591
a	19.005 ± 0.002 Å
b	9.9701 ± 0.0011 Å
c	14.6711 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2779.9 ± 0.5 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067377.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067377.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067377.cif
34180	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067376, 4067377, 4067378, 4067379, 4067380, 4067381, 4067382 via cif-deposit CGI script.	4067377.cif