Dataset Information

(2.2.2-Cryptand)potassium tetra-kis-(?(2)-ethyl-ene)cobaltate(-I).

ABSTRACT: The title salt, [K(C(18)H(36)N(2)O(6))][Co(C(2)H(4))(4)], is one of only two known homoleptic ethyl-enemetalates. The cation and anion are well separated, which gives an unperturbed tetra-hedral anion as is expected for a formally Co(-I)d(10) metal center. The considerable elongation of the C=C bonds of the ethyl-ene ligands [average 1.401?(6)?Å], relative to that of free ethyl-ene (1.333?Å), is consistent with metal??* back-bonding models. One arm of the 2.2.2-cryptand (4,7,13,16,21,24-hexa-oxa-1,10-diaza-bicyclo-[8.8.8]hexa-cosa-ne) complexant is disordered and was modeled over two positions with a refined occupancy ratio of 0.559?(2):0.441?(2). In the crystal, the cationic K(2.2.2-cryptand) units are linked via C-H?O hydrogen bonds, forming inversion dimers. There are no other significant inter-molecular inter-actions in the crystal structure.

SUBMITTER: Brennessel WW

PROVIDER: S-EPMC3470144 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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Publications

(2.2.2-Cryptand)potassium tetra-kis-(η(2)-ethyl-ene)cobaltate(-I).

Brennessel William W WW Ellis John E JE

Acta crystallographica. Section E, Structure reports online 20120912 Pt 10

The title salt, [K(C(18)H(36)N(2)O(6))][Co(C(2)H(4))(4)], is one of only two known homoleptic ethyl-enemetalates. The cation and anion are well separated, which gives an unperturbed tetra-hedral anion as is expected for a formally Co(-I)d(10) metal center. The considerable elongation of the C=C bonds of the ethyl-ene ligands [average 1.401 (6) Å], relative to that of free ethyl-ene (1.333 Å), is consistent with metal→π* back-bonding models. One arm of the 2.2.2-cryptand (4,7,13,16,21,24-hexa-oxa ...[more]

PMID: 23125588

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Project description:Two polymorphs of the title tetra-kis-substituted pyrazine carb-oxy-lic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis-(methyl-ene))tetra-kis-(sulfanedi-yl]}tetra-propionic acid, C20H28N2O8S4, (H4L1), have been obtained, H4L1_A and H4L1_B. Each structure crystallized with half a mol-ecule in the asymmetric unit of a triclinic P unit cell. The whole mol-ecules are generated by inversion symmetry, with the pyrazine rings being located about inversion centers. The crystals of H4L1_B were of poor quality, but the X-ray diffraction analysis does show the change in conformation of the -CH2-S-CH2-CH2- side chains compared to those in polymorph H4L1_A. In the crystal of H4L1_A, mol-ecules are linked by two pairs of O-H⋯O hydrogen bonds, enclosing R 2 2(8) ring motifs forming layers parallel to plane (100), which are linked by C-H⋯O hydrogen bonds to form a supra-molecular framework. In the crystal of H4L1_B, mol-ecules are also linked by two pairs of O-H⋯O hydrogen bonds enclosing R 2 2(8) ring motifs, however here, chains are formed propagating in the [001] direction and stacking up the a-axis. Reaction of H4L1 with Hg(NO3)2 in the presence of a potassium acetate buffer did not produce the expected binuclear complex, instead crystals of a potassium-organic framework were obtained, poly[(μ-3-{[(3,5,6-tris-{[(2-carb-oxy-eth-yl)sulfan-yl]meth-yl}pyrazin-2-yl)meth-yl]sulfan-yl}propano-ato)potassium], [K(C20H27N2O8S4)] n (KH3L1). The organic mono-anion possesses inversion symmetry with the pyrazine ring being located about an inversion center. A carb-oxy H atom is disordered by symmetry and the charge is compensated for by a potassium ion. A similar reaction with Zn(NO3)2 resulted in the formation of crystals of a dipotassium-organic framework, poly[(μ-3,3'-{[(3,6-bis-{[(2-carb-oxy-eth-yl)sulfan-yl]meth-yl}pyrazine-2,5-di-yl)bis(methyl-ene)]bis-(sulfanedi-yl)}dipropionato)dipotassium], [K2(C20H26N2O8S4)] n (K2H2L1). Here, the organic di-anion possesses inversion symmetry with the pyrazine ring being located about an inversion center. Two symmetry-related acid groups are deprotonated and the charges are compensated for by two potassium ions.

Dataset Information

(2.2.2-Cryptand)potassium tetra-kis-(?(2)-ethyl-ene)cobaltate(-I).

Publications

(2.2.2-Cryptand)potassium tetra-kis-(η(2)-ethyl-ene)cobaltate(-I).

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