Crystallography Open Database

Information card for entry 4067600

Preview

Coordinates	4067600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H48 Cl4 N6 Ru Te
Calculated formula	C37 H48 Cl4 N6 Ru Te
SMILES	[Te]#C[Ru](Cl)(Cl)([n]1ccc(N(C)C)cc1)([n]1ccc(N(C)C)cc1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.ClCCl
Title of publication	Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand
Authors of publication	Mutoh, Yuichiro; Kozono, Naoki; Araki, Miho; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	519
a	8.759 ± 0.003 Å
b	11.776 ± 0.004 Å
c	19.859 ± 0.007 Å
α	92.595 ± 0.005°
β	97.457 ± 0.005°
γ	94.576 ± 0.005°
Cell volume	2021.4 ± 1.2 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4067600.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067600.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067600.cif
34241	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067597, 4067598, 4067599, 4067600, 4067601, 4067602, 4067603, 4067604 via cif-deposit CGI script.	4067600.cif