Crystallography Open Database

Information card for entry 4067599

Preview

Coordinates	4067599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H59 Cl2 N2 O P Ru
Calculated formula	C40 H59 Cl2 N2 O P Ru
SMILES	[Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])=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	12.245 ± 0.002 Å
b	18.274 ± 0.003 Å
c	18.163 ± 0.003 Å
α	90°
β	103.679 ± 0.002°
γ	90°
Cell volume	3949 ± 1.1 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.	4067599.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067599.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067599.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.	4067599.cif