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Carbon-yl[tris-(3,5-diphenyl-pyrazol-1-yl-?N)methane]copper(I) hexa-fluorido-phosphate-dichloro-methane-diethyl ether (4/3/1).

ABSTRACT: In the title compound, [Cu(C(46)H(34)N(6))(CO)]PF(6)·0.75CH(2)Cl(2)·0.25C(4)H(10)O, the Cu(I) atom is coordinated by three N atoms from the tridentate chelating tris-(3,5-diphenyl-pyrazol-1-yl)methane ligand (average Cu-N distance = 2.055?Å) and the C atom from a carbon monoxide ligand in a distorted tetra-hedral coordination geometry. The average N-Cu-N angle between adjacent pyrazole-ring-coordinated N atoms is 88.6°, while the average N-Cu-C angle between the pyrazole-bound N atom and the C atom of carbon monoxide is 126.3°. One of the 3-phenyl rings of the tris-(pyrazol-yl)methane ligand is disordered over two sites each with an occupancy factor of 0.50. The structure also exhibits disorder of the monosolvate that has been modeled with 0.75 CH(2)Cl(2) and 0.25 Et(2)O occupancy.

SUBMITTER: Miller KE

PROVIDER: S-EPMC2971318 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Carbon-yl[tris-(3,5-diphenyl-pyrazol-1-yl-κN)methane]copper(I) hexa-fluorido-phosphate-dichloro-methane-diethyl ether (4/3/1).

Miller Katie E KE Schopp Lauren M LM Nesseth Kelly N KN Moore Curtis C Rheingold Arnold L AL Daley Christopher J A CJ

Acta crystallographica. Section E, Structure reports online 20091013 Pt 11

In the title compound, [Cu(C(46)H(34)N(6))(CO)]PF(6)·0.75CH(2)Cl(2)·0.25C(4)H(10)O, the Cu(I) atom is coordinated by three N atoms from the tridentate chelating tris-(3,5-diphenyl-pyrazol-1-yl)methane ligand (average Cu-N distance = 2.055 Å) and the C atom from a carbon monoxide ligand in a distorted tetra-hedral coordination geometry. The average N-Cu-N angle between adjacent pyrazole-ring-coordinated N atoms is 88.6°, while the average N-Cu-C angle between the pyrazole-bound N atom and the C a ...[more]

PMID: 21578109

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