Crystallography Open Database

Information card for entry 4075448

Preview

Coordinates	4075448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Cr O6 S
Calculated formula	C14 H6 Cr O6 S
SMILES	[Cr]([S]=C1Oc2c(C=C1)cccc2)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation
Authors of publication	Zheng,; Chen, Jinzhu; Luo, Ning; Yu,; Han, Xiuwen
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5301
a	6.9915 ± 0.0008 Å
b	9.296 ± 0.001 Å
c	11.6505 ± 0.0012 Å
α	95.864 ± 0.002°
β	100.443 ± 0.002°
γ	101.288 ± 0.002°
Cell volume	722.78 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0392
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178643 (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 4/07/54.	4075448.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075448.cif
49248	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075445, 4075446, 4075447, 4075448 via cif-deposit CGI script.	4075448.cif