Crystallography Open Database

Information card for entry 4066475

Preview

Coordinates	4066475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Co O5 P
Calculated formula	C25 H22 Co O5 P
SMILES	[Co]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(CC(=O)OCC)(C#[O])(C#[O])C#[O]
Title of publication	Triphenylphosphane-Modified Cobalt Catalysts for the Selective Carbonylation of Ethyl Diazoacetate
Authors of publication	Ungvári, Neszta; Fördős, Eszter; Balogh, János; Kégl, Tamás; Párkányi, László; Ungváry, Ferenc
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3837
a	9.3676 ± 0.0003 Å
b	18.0352 ± 0.0004 Å
c	15.0701 ± 0.0004 Å
α	90°
β	113.208 ± 0.002°
γ	90°
Cell volume	2340.02 ± 0.12 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0337
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178556 (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 4/06/64.	4066475.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066475.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066475.cif
33904	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066474, 4066475 via cif-deposit CGI script.	4066475.cif