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Poly[(?(4)-benzene-1,3,5-tricarboxyl-ato)bis-(N,N-dimethyl-formamide)-cerium(III)].

ABSTRACT: The asymmetric unit of the title rare earth coordination polymer, [Ce(C(9)H(3)O(6))(C(3)H(7)NO)(2)](n), contains one eight-coordinated Ce(3+) ion, one benzene-1,3,5-tricarboxyl-ate (BTC) ligand and two coordinated N,N-dimethyl-formamide (DMF) mol-ecules. The Ce(3+) ion is coordinated by six O atoms from four carboxyl-ate groups of the BTC ligands and by two O atoms from two terminal DMF mol-ecules.

SUBMITTER: Li Z

PROVIDER: S-EPMC3212115 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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Poly[(μ(4)-benzene-1,3,5-tricarboxyl-ato)bis-(N,N-dimethyl-formamide)-cerium(III)].

Li Zhongyue Z Liu Kun K

Acta crystallographica. Section E, Structure reports online 20110706 Pt 8

The asymmetric unit of the title rare earth coordination polymer, [Ce(C(9)H(3)O(6))(C(3)H(7)NO)(2)](n), contains one eight-coordinated Ce(3+) ion, one benzene-1,3,5-tricarboxyl-ate (BTC) ligand and two coordinated N,N-dimethyl-formamide (DMF) mol-ecules. The Ce(3+) ion is coordinated by six O atoms from four carboxyl-ate groups of the BTC ligands and by two O atoms from two terminal DMF mol-ecules. ...[more]

PMID: 22090817

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Poly[(?(4)-benzene-1,3,5-tricarboxyl-ato)bis-(dimethyl sulfoxide-?O)-neodymium(III)].

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| S-EPMC3238732 | biostudies-literature

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| S-EPMC3588465 | biostudies-literature

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catena-Poly[[octa-aqua-bis-(?(4)-benzene-1,3,5-tricarboxyl-ato)trizinc] tetra-hydrate].

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Project description:In the title compound, {[Zn(3)(C(9)H(3)O(6))(2)(C(12)H(12)N(2))(2)(H(2)O)(6)]·6H(2)O}(n), one Zn(II) atom, lying on an inversion center, is six-coordinated by two O atoms from two benzene-1,3,5-tricarboxyl-ate (btc) ligands and four water mol-ecules in a distorted octa-hedral geometry. The other Zn(II) atom is five-coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine (dmbpy) ligand, two O atoms from two btc ligands and one water mol-ecule in a distorted trigonal-bipyramidal geometry. The compound features a one-dimensional ladder structure, with windows of ca 10.245?(1) × 15.446?(2)?Å. The ladders are linked together by inter-molecular O-H?O hydrogen bonds and ?-? inter-actions between the benzene rings and between the pyridine rings [centroid-to-centroid distances 3.858?(2) and 3.911?(3)?Å, respectively] to form a three-dimensional supra-molecular structure. One of the lattice water molecules is disordered over two positions in a 0.592:0.408 ratio.

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Project description:The asymmetric unit of the title coordination polymer, [Y(2)(C(8)H(5)NO(4))(3)(C(3)H(7)NO)(4)](n), contains one Y(3+) ion, three half-mol-ecules of the 2-amino-benzene-1,4-dicarboxyl-ate (abz) dianion and two O-bonded N,N-dimethyl-formamide (DMF) mol-ecules. Each abz half-mol-ecule is completed by crystallographic inversion symmetry and its -NH(2) group is disordered in each case [relative occupancies within the asymmetric unit = 0.462?(18):0.538?(18), 0.93?(2):0.07?(2) and 0.828?(16):0.172?(16)]. The combination of disorder and crystal symmetry means that each of the four C-H atoms of the benzene ring of each of the dianions bears a statistical fraction of an -NH(2) group. The coordination geometry of the yttrium ion is a fairly regular YO(8) square anti-prism arising from its coordination by two DMF mol-ecules, four monodentate abz dianions and one O,O-bidentate abz dianion. The polymeric building unit is a dimeric paddle-wheel with two metal ions linked by four bridging abz dianions. Further bridging linkages connect the dimers into a three-dimensional framework containing voids in which highly disordered DMF mol-ecules are presumed to reside.

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Tetra-imidazolium piperazinediium bis-(benzene-1,3,5-tricarboxyl-ate) dihydrate.

Project description:During the crystallization of the title compound, 4C(3)H(5)N(2) (+)·C(4)H(12)N(2) (+)·2C(9)H(3)O(6) (3-)·2H(2)O, the acidic protons were transferred to the imidazole and piperazine N atoms, forming the final 4:1:2:2 hydrated mixed salt. The mean planes of the three carboxyl-ate groups in the anion are twisted with respect to the the central benzene ring, making dihedral angles of 13.5?(1), 14.5?(1) and 16.9?(1)°. In the crystal, the component ions are linked into a three-dimensional network by a combination of inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. Further stabilization is provided by ?-? stacking inter-actions with centroid-centroid distances of 3.393?(2)?Å and weak C=O?? inter-actions [O-centroid = 3.363?(2)?Å].

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