Crystallography Open Database

Information card for entry 4067433

Preview

Coordinates	4067433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Cr O9
Calculated formula	C15 H12 Cr O9
SMILES	[Cr](=C1OC(=CC=C1C(=O)OCC)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Multicomponent Synthesis of Pyran-2-ylidene Chromium(0) and Tungsten(0) Fischer Carbene Complexes
Authors of publication	Baeza, Beatriz; Casarrubios, Luis; Gómez-Gallego, Mar; Sierra, Miguel A.; Oliván, Montserrat
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1607
a	9.486 ± 0.003 Å
b	9.511 ± 0.003 Å
c	10.054 ± 0.003 Å
α	100.853 ± 0.006°
β	113.551 ± 0.005°
γ	94.245 ± 0.006°
Cell volume	805.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	0.929
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
178565 (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 4/06/74.	4067433.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067433.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067433.cif
34198	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067433 via cif-deposit CGI script.	4067433.cif