Crystallography Open Database

Information card for entry 4068812

Preview

Coordinates	4068812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H6 N2 O10 Ru3
Calculated formula	C15 H6 N2 O10 Ru3
SMILES	C12N3C(N(C=C3)C)=[Ru]3(C#[O])(C#[O])(C#[O])[Ru]41(C(=O)[Ru]234(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Reactivity of Protons, Tertiary Stannanes, and Alkynes with a Triruthenium Dihydrido Cluster Containing a Face-Capping NHC Ligand
Authors of publication	Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Sánchez-Vega, M. Gabriela
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1243
a	12.4159 ± 0.0004 Å
b	9.925 ± 0.0003 Å
c	16.3455 ± 0.0006 Å
α	90°
β	93.859 ± 0.002°
γ	90°
Cell volume	2009.65 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178578 (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 4/06/88.	4068812.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068812.cif
39985	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068811, 4068812 via cif-deposit CGI script.	4068812.cif