Crystallography Open Database

Information card for entry 4072067

4072066 << 4072067 >> 4072068

Preview

Coordinates	4072067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Cr O6
Calculated formula	C22 H28 Cr O6
SMILES	[Cr](=C1C(=C(C(=C(O1)CCC)CCC)CCC)CCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction
Authors of publication	Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3627
a	9.3239 ± 0.0019 Å
b	10.351 ± 0.002 Å
c	12.241 ± 0.002 Å
α	93.71 ± 0.03°
β	94.57 ± 0.03°
γ	90.07 ± 0.03°
Cell volume	1175.2 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0762
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1414
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178609 (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 4/07/20.	4072067.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072067.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072067.cif
44209	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072067 via cif-deposit CGI script.	4072067.cif