Crystallography Open Database

Information card for entry 4076629

Preview

Coordinates	4076629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H5 Cl O9 Ru3
Calculated formula	C13 H5 Cl O9 Ru3
SMILES	[Ru]12([Ru]34([Ru]5([Cl]1)(C#[O])(C#[O])(C#[O])C[C]35=[C]24C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Parallel Approaches to Mono- and Bis-Propargylic Activation via Co2(CO)8and [Ru3(μ-Cl)(CO)10]-
Authors of publication	Soleilhavoup, Michèle; Saccavini, Catherine; Lepetit, Christine; Lavigne, Guy; Maurette, Luc; Donnadieu, Bruno; Chauvin, Remi
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	5
Pages of publication	871
a	9.443 ± 0.002 Å
b	9.501 ± 0.002 Å
c	10.194 ± 0.002 Å
α	77.43 ± 0.03°
β	87.03 ± 0.03°
γ	86.13 ± 0.03°
Cell volume	890 ± 0.3 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178655 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/66.	4076629.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076629.cif
54009	2012-04-20	cif/ Adding structures of 4076627, 4076628, 4076629 via cif-deposit CGI script.	4076629.cif