Crystallography Open Database

Information card for entry 7119049

7119048 << 7119049 >> 7119050

Preview

Coordinates	7119049.cif

Structure parameters

Chemical name	complex 6
Formula	C40.5 H58 Cl F6 N5 O6 S2 W
Calculated formula	C40.5 H58 Cl F6 N5 O6 S2 W
SMILES	[W](OS(=O)(=O)C(F)(F)F)(Cc1n(c(c([n+]1C)C)C)C)(OS(=O)(=O)C(F)(F)F)(=Nc1c(cccc1C(C)C)C(C)C)(Cc1n(c(c([n+]1C)C)C)C)=CC(C)(C)c1ccccc1.C(Cl)Cl
Title of publication	Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes
Authors of publication	Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6099
a	11.7112 ± 0.0007 Å
b	20.3641 ± 0.0013 Å
c	21.9201 ± 0.0014 Å
α	103.305 ± 0.003°
β	97.459 ± 0.002°
γ	100.855 ± 0.003°
Cell volume	4913.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
183990 (current)	2016-06-27	cif/ Adding structures of 7119048, 7119049, 7119050, 7119051 via cif-deposit CGI script.	7119049.cif