Crystallography Open Database

Information card for entry 7119050

7119049 << 7119050 >> 7119051

Preview

Coordinates	7119050.cif

Structure parameters

Chemical name	complex 4
Formula	C55 H76 Cl2 N4 W
Calculated formula	C55 H76 Cl2 N4 W
SMILES	[W](Cl)(=Nc1c(cccc1C(C)C)C(C)C)(Cl)(n1c(ccc1C)C)=CC(C)(C)c1ccccc1.[N+]1(=CN(CC1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
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	10.5591 ± 0.0003 Å
b	13.627 ± 0.0005 Å
c	21.2326 ± 0.0007 Å
α	86.879 ± 0.002°
β	81.476 ± 0.002°
γ	88.576 ± 0.002°
Cell volume	3016.47 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0404
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7119050.cif