Crystallography Open Database

Information card for entry 4067598

Preview

Coordinates	4067598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H59 Cl2 N2 P Ru S
Calculated formula	C40 H59 Cl2 N2 P Ru S
SMILES	[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[S])=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
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	13.7138 ± 0.0019 Å
b	16.058 ± 0.002 Å
c	18.424 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4057.3 ± 1 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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.	4067598.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067598.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067598.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.	4067598.cif