Unknown

Dataset Information

0

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

ABSTRACT: The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H?Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the ?-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

SUBMITTER: Funwie NL 

PROVIDER: S-EPMC4555389 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

Funwie Neil L NL   Cain Amy N AN   Fanning Brian Z BZ   Hageman Serena A SA   Mullens Malorie M   Roberts Travis K TK   Turner Daniel J DJ   Valdez Cammi N CN   Vaughan Robert W RW   Ermias Henok G HG   Silversides Jon D JD   Archibald Stephen J SJ   Hubin Timothy J TJ   Prior Timothy J TJ  

Acta crystallographica. Section E, Crystallographic communications 20150826 Pt 9

The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of t  ...[more]

Similar Datasets

Unknown Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) monohydrate and (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate.
| S-EPMC6399696 | biostudies-literature
Unknown Dichlorido[(4E,11E)-5,7,12,14-tetra-benzyl-7,14-dimethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene]cobalt(III) perchlorate.
| S-EPMC3238638 | biostudies-literature
Unknown trans-Dichlorido(1,4,8,11-tetra-azacyclo-tetra-deca-ne)manganese(III) tetra-fluorido-borate.
| S-EPMC2983670 | biostudies-literature
Unknown [(4E,11E)-5,7,12,14-Tetra-benzyl-7,14-dimethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene]copper(II) bis(per-chlorate).
| S-EPMC3246995 | biostudies-literature
Unknown (meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)nickel(II) dibromide dihydrate.
| S-EPMC2983119 | biostudies-literature
Unknown Crystal structure of trans-di-aqua-(3,10-dimethyl-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne)copper(II) pamoate.
| S-EPMC6505617 | biostudies-literature
Unknown Diaqua-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) tetra-cyanidonickelate(II).
| S-EPMC2970059 | biostudies-literature
Unknown catena-Poly[[(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-1,7-diene)copper(II)]-?-chlorido-[dichloro-cuprate(II)]-?-chlorido].
| S-EPMC3393162 | biostudies-other
Unknown Diaqua-(1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) fumarate tetra-hydrate.
| S-EPMC3007087 | biostudies-other
Unknown (C-meso-N-meso-5,12-Dimethyl-7,14-diphenyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-4,11-diene)copper(II) bis-[O,O'-bis-(4-methyl-phen-yl)dithio-phosphate].
| S-EPMC3011789 | biostudies-literature