Crystallography Open Database

Information card for entry 4068955

Preview

Coordinates	4068955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H14 N2 O11 Ru4
Calculated formula	C21 H14 N2 O11 Ru4
SMILES	C1(N(C=CN1c1ccccc1)C)=[Ru]12(C#[O])(C#[O])[H][Ru]3(C#[O])(C#[O])(C#[O])[H][Ru](C#[O])(C#[O])(C#[O])([Ru]3(C#[O])(C#[O])(C#[O])[H]1)[H]2
Title of publication	Reactivity of [Ru4(μ-H)4(CO)12] with N-Heterocyclic Carbenes
Authors of publication	Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1832
a	30.6398 ± 0.0002 Å
b	11.2946 ± 0.0001 Å
c	16.2455 ± 0.0001 Å
α	90°
β	102.018 ± 0.001°
γ	90°
Cell volume	5498.77 ± 0.07 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178579 (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 4/06/89.	4068955.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068955.cif
40060	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068955, 4068956 via cif-deposit CGI script.	4068955.cif