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Aqua-(5,10,15,20-tetra-phenyl-porphyrin-ato-?(4) N)cadmium(II)-18-crown-6 (1/1).

ABSTRACT: The title compound, [Cd(C44H28N4)(H2O)]·(C12H24O6), was made by the reaction of the [Cd(TPP)] with an excess of 18-crown-6 in chloro-benzene (where TPP is tetra-phenyl-porphyrinate). The Cd(II) cation is chelated by a TPP anion and coordinated by a water mol-ecule in a distorted N4O square-pyramidal geometry, the Cd(II) cation being displaced by 0.7533?(9)?Å from the mean plane of four N atoms of TPP anion. The porphyrin core presents a significant distortion, the maximum atomic deviation from the 24-atom mean plane is 0.1517?(2)?Å. The 18-crown-6 mol-ecule is linked with the Cd(II) complex via classical O-H?O hydrogen bonds. In the crystal, weak C-H?? inter-actions link the complex and 18-crown-6 mol-ecules into a three-dimensional supra-molecular architecture.

SUBMITTER: Toumi H

PROVIDER: S-EPMC3772402 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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Aqua-(5,10,15,20-tetra-phenyl-porphyrin-ato-κ(4) N)cadmium(II)-18-crown-6 (1/1).

Toumi Hamza H Belghith Yassine Y Daran Jean-Claude JC Nasri Habib H

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

The title compound, [Cd(C44H28N4)(H2O)]·(C12H24O6), was made by the reaction of the [Cd(TPP)] with an excess of 18-crown-6 in chloro-benzene (where TPP is tetra-phenyl-porphyrinate). The Cd(II) cation is chelated by a TPP anion and coordinated by a water mol-ecule in a distorted N4O square-pyramidal geometry, the Cd(II) cation being displaced by 0.7533 (9) Å from the mean plane of four N atoms of TPP anion. The porphyrin core presents a significant distortion, the maximum atomic deviation from t ...[more]

PMID: 24046545

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(5,10,15,20-Tetra-phenyl-porphyrinato-?N)cobalt(II)-18-crown-6 (1/1).

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Project description:In the title compound, [Zn(C44H28N4)]·C12H24O6, the Zn(II) ion lies on an inversion center and the asymmetric unit contains one half of a Zn(TPP) complex (TPP = 5,10,15,20-tetra-phenyl-porphyrin dianion) and one half of a centrosymmetric 18-crown-6 mol-ecule. The Zn(TPP) complex exhibits a nearly planar conformation of the porphyrin core [maximum deviation = 0.106?(2)?Å] with an average Zn-N distance of 2.047?(2)?Å. The title compound is considered as a one-dimensional polymer along [010], in which the Zn(TPP) moiety is linked to the closest O atoms of two symmetry-related 18-crown-6 mol-ecules with a Zn-O distance of 2.582?(1)?Å, completing a distorted octahedral coordination environment of the metal ion. The chains are mainly sustained by weak C-H?? inter-actions. An ethyl-ene group of the 18-crown-6 mol-ecule is disordered over three sites with occupancies of 0.50, 0.25 and 0.25.

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Project description:In the title compound, [Mg(C(44)H(28)N(4))(H(2)O)(2)]·C(12)H(24)O(6), the Mg(II) cation lies on an inversion center and is octa-hedrally coordinated by the four N atoms of the deprotonated tetra-phenyl-porphyrin (TPP) ligand and by two water mol-ecules. The asymmetric unit contains one half of the [Mg(TPP)(H(2)O)(2)] complex and one half of an 18-crown-6 mol-ecule. The average equatorial magnesium-pyrrole N atom distance (Mg-N(p)) is 2.071?(1)?Å and the axial Mg-O(H(2)O) bond length is 2.213?(1)?Å. The crystal packing is stabilized by two O-H?O hydrogen bonds between coordinating water mol-ecules and adjacent 18-crown-6 mol-ecules, and exhibits a one-dimensional supramolecular structure along the a axis. The supramolecular architecture is futher stabilized by weak C-H?? inter-actions. The 18-crown-6 mol-ecule is disordered over two sets of sites with an occupancy ratio of 0.8:0.2.

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Crystal structure of di-aqua-[5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinato-?(4) N]iron(III) di-aqua-(18-crown-6)potassium bis-(tri-fluoro-methane-sulfonate)-18-crown-6 (1/2).

Project description:In the title compound, [Fe(III)(C48H36N4O2)(H2O)2][K(C12H24O6)(H2O)2](SO3CF3)2·2C12H24O6, the Fe(III) atom is situated on an inversion centre and is octa-hedrally coordin-ated by four pyrrole N atoms of the deprotenated 5,10,15,20-tetra-kis-(4-meth-oxy-phen-yl)porphyrinate ligand and two water mol-ecules. The average equatorial Fe-N(pyrrole) bond length [2.043?(6)?Å] is consistent with a high-spin (S = 5/2) iron(III) metalloporphyrin derivative. The K(+) cation, which also lies on an inversion centre, is chelated by the six O atoms of one 18-crown-6 mol-ecule and is additionally coordinated by two water mol-ecules in a distorted hexa-gonal-bipyramidal geometry. In the crystal, the cations, anions and one non-coordinating 18-crown-6 mol-ecule are linked by classical O-H?O hydrogen bonds and non-conventional C-H?O hydrogen bonds, leading to a one-dimensional supra-molecular architecture along [10-1]. The crystal packing is further stabilized by weak C-H?? inter-actions involving pyrrole and phenyl rings of the porphyrins, as well as weak C-H?F contacts involving the (SO3CF3)(-) counter-ion and the 18-crown-6 mol-ecules.

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(5,10,15,20-Tetra-phenyl-porphyrinato-?N)(2,2,2-trifluoro-1-phenyl-ethyl-idene-?C)ruthenium(II): a stable fluorinated alkyl-idene complex of a ruthenium(II) porphyrin.

Project description:In the title compound, [Ru(C(44)H(28)N(4))(C(8)H(5)F(3))], the fluorin-ated alkyl-idene group is bound to a five-coordinate Ru atom, which is located toward the carbene C atom, 0.3301?(5)Å from the least-squares plane of the C(20)N(4) porphyrin core. The Ru=C bond is tilted slightly from the normal to the C(20)N(4) least-squares plane due to steric repulsion between the porphyrinate ligand and the bulky trifluoro-methyl group. The Ru=C bond length of 1.838?(2)?Å is comparable with those in bis-(subsituted phen-yl)carbene analogs.

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