Crystallography Open Database

Information card for entry 4068566

Preview

Coordinates	4068566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 O5 P2 Ru
Calculated formula	C41 H36 O5 P2 Ru
SMILES	C1(C)=[O][Ru](C#[O])(OC(=O)C)(O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Exploitation of a Chemically Non-innocent Acetate Ligand in the Synthesis and Reactivity of Ruthenium Vinylidene Complexes
Authors of publication	Lynam, Jason M.; Welby, Christine E.; Whitwood, Adrian C.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1320
a	9.4889 ± 0.0009 Å
b	10.7254 ± 0.001 Å
c	18.505 ± 0.002 Å
α	100.934 ± 0.002°
β	104.233 ± 0.002°
γ	102.28 ± 0.002°
Cell volume	1724.5 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.035
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0691
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
178575 (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 4/06/85.	4068566.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068566.cif
39877	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068563, 4068564, 4068565, 4068566 via cif-deposit CGI script.	4068566.cif