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Tetra-kis(?-4-tert-butyl-benzoato)-?O:O,O';?O,O':O';?O:O'-bis-[aqua-bis-(4-tert-butyl-benzoato-?O,O')(4-tert-butyl-benzoic acid-?O)praseodymium(III)].

ABSTRACT: The reaction of praseodymium nitrate and 4-tert-butyl-benzoic acid (tBBAH) in aqueous solution yielded the dinuclear title complex, [Pr(2)(C(11)H(13)O(2))(6)(C(11)H(14)O(2))(2)(H(2)O)(2)], which has non-crystallographic C(i) symmetry. The two Pr(III) ions are linked by two bridging and two bridging-chelating tBBA ligands, with a Pr?Pr separation of 4.0817?(9)?Å. Each Pr(III) ion is nine-coordinated by one chelating tBBA ion, one monodentate tBBAH ligand and one water mol-ecule in a distorted tricapped trigonal-prismatic environment. The complex mol-ecules are linked into infinite chains along the c axis by inter-molecular O-H?O hydrogen bonds.

SUBMITTER: Dai J

PROVIDER: S-EPMC3212259 | biostudies-other | 2011 Aug

REPOSITORIES: biostudies-other

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Tetra-kis(μ-4-tert-butyl-benzoato)-κO:O,O';κO,O':O';κO:O'-bis-[aqua-bis-(4-tert-butyl-benzoato-κO,O')(4-tert-butyl-benzoic acid-κO)praseodymium(III)].

Dai Jun J Pan Rong-Kun RK Yang Juan J

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

The reaction of praseodymium nitrate and 4-tert-butyl-benzoic acid (tBBAH) in aqueous solution yielded the dinuclear title complex, [Pr(2)(C(11)H(13)O(2))(6)(C(11)H(14)O(2))(2)(H(2)O)(2)], which has non-crystallographic C(i) symmetry. The two Pr(III) ions are linked by two bridging and two bridging-chelating tBBA ligands, with a Pr⋯Pr separation of 4.0817 (9) Å. Each Pr(III) ion is nine-coordinated by one chelating tBBA ion, one monodentate tBBAH ligand and one water mol-ecule in a distorted tri ...[more]

PMID: 22090916

Similar Datasets

Tetra-kis(?-4-tert-butyl-benzoato)-?O:O';?O,O':O';?O:O,O'-bis-[aqua-(4-tert-butyl-benzoato-?O,O')(4-tert-butyl-benzoic acid-?O)neodymium(III)].

Project description:The reaction of neodymium nitrate and 4-tert-butyl-benzoic acid (tBBAH) in aqueous solution yielded the dinuclear title complex, [Nd(2)(C(11)H(13)O(2))(6)(C(11)H(14)O(2))(2)(H(2)O)(2)], which has non-crystallographic C(i) symmetry. The two Nd(III) ions are linked by two bridging and two bridging-chelating tBBA ligands with an Nd?Nd separation of 4.0624?(5)?Å. Moreover, each Nd(III) ion is coordinated by one chelating tBBA ion, one monodentate tBBAH ligand and one water mol-ecule. The nine-coordinated Nd(III) ion is in a distorted tricapped trigonal-prismatic environment. The mol-ecules are linked into infinite chains along the c axis by inter-molecular O-H?O hydrogen bonds. Three of the tert-butyl groups are disordered over two sets of sites with equal occupancies.

| S-EPMC3120497 | biostudies-literature

Tetra-kis(μ-2-methyl-benzoato)bis-[(2-methyl-benzoic acid)copper(II)].

Project description:In the title centrosymmetric dinuclear compound, [Cu(2)(C(8)H(7)O(2))(4)(C(8)H(8)O(2))(2)], four o-toluate anions form a cage around two Cu atoms in a syn-syn configuration. Two more o-toluic acid mol-ecules are apically bonded to the Cu atoms, which show a square-pyramidal coordination geometry. The acid H atoms are hydrogen bonded to the cage carboxyl O atoms [O⋯O = 2.660 (2) Å]. The mol-ecular packing forms a puckered pseudo-hexa-gonal close-packed layer in the (h00) plane, with soft inter-molecular H⋯H contacts (2.46-2.58 Å).

| S-EPMC2960998 | biostudies-literature

Tetra-kis(?-4-ethyl-benzoato-?O:O')-bis-[(4-ethyl-benzoic acid-?O)copper(II)].

Project description:The molecule of the title compound, [Cu(2)(C(9)H(9)O(2))(4)(C(9)H(10)O(2))(2)], lies on a center of inversion. It consists of four bridging ethyl-benzoate ligands, forming a cage around two Cu atoms in a syn-syn configuration, and two monodentate ethyl-benzoic acid ligands bonded apically to the square-planar Cu atoms. The Cu?Cu distance is 2.6047?(5)?Å.

| S-EPMC2961780 | biostudies-literature

Tetra-?-benzoato-?O:O'-bis-[(benzoic acid-?O)nickel(II)].

Project description:The title compound, [Ni(2)(C(7)H(5)O(2))(4)(C(7)H(6)O(2))(2)], is composed of two Ni(II) ions, four bridging benzoate anions and two ?(1)-benzoic acid mol-ecules. The [Ni(2)(PhCOO)(4)] unit adopts a typical paddle-wheel conformation. The center between the two Ni(II) atoms represents a crystallographic center of inversion. In addition, each Ni(II) ion also coordinates to one O atom from a benzoic acid mol-ecule. The crystal packing is realised by inter-molecular hydrogen-bonding inter-actions and ?-? stacking inter-actions, with a centroid-centroid distance of 3.921?(1)?Å.

| S-EPMC2971096 | biostudies-literature

Tetra-kis(?-4-methoxy-benzoato)bis-[(4-methoxy-benzoato)(1,10-phenan-throline)terbium(III)].

Project description:In the title dinuclear complex, [Tb(2)(C(8)H(7)O(3))(6)(C(12)H(8)N(2))(2)], each Tb(III) ion is eight-coordinated by two N atoms from a 1,10-phenanthroline ligand and six O atoms from the carboxyl-ate groups of five 4-methoxy-benzoate ligands in a distorted square-anti-prismatic geometry. All six 4-methoxy-benzoate ligands act in a bidentate mode, two coordinating to one Tb center each and the other four bridging two Tb centers [Tb?Tb separation = 4.3144?(6)?Å]. In the crystal, inter-molecular ?-? inter-actions between the aromatic rings of 1,10-phenanthroline and 4-methoxy-benzoate ligands [centroid-centroid distance = 3.742?(9)?Å] link two mol-ecules into a centrosymmetric dimer. Weak inter-molecular C-H?O hydrogen bonds help to consolidate the crystal packing.

| S-EPMC2970326 | biostudies-literature

Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,4-difluoro-benzoato)(1,10-phenanthroline)gadolinium(III)].

Project description:In the title compound, [Gd(2)(C(7)H(3)F(2)O(2))(6)(C(12)H(8)N(2))(2)], the asymmetric unit comprises one Gd(3+) cation chelated by two 2,4-difluoro-benzoate and one 1,10-phenanthroline ligands. Two cations are linked into a centrosymmetric dimer via three bridging carboxyl-ate groups of 2,4-difluoro-benzoate ligands. Each Gd(3+) ion is nine-coordinated by seven O atoms and two N atoms.

| S-EPMC2960912 | biostudies-literature

Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,2'-bipyridine)(2,4-difluoro-benzoato)terbium(III)].

Project description:In the centrosymmetric dinuclear title compound, [Tb(2)(C(7)H(3)F(2)O(2))(6)(C(10)H(8)N(2))(2)], the Tb(III) ion is coordinated by an N,N'-bidentate 2,2'-bipyridine mol-ecule, and two O,O'-bidentate 2,4-difluoro-benzoate (dfb) anions. One of the latter also bonds to the second Tb(III) centre through one of its O atoms. The third dfb anion bonds to one Tb atom from each of its O atoms. Thus, the three dfb species have three different coordination modes. This results in an irregular TbN(2)O(7) coordination sphere for the metal ion. The F atoms and their associated H atoms in the simple bidentate dfb anion are disordered over two sets of sites in a 0.672 (10):0.328 (10) ratio.

| S-EPMC2968370 | biostudies-literature

Tetra-kis-?-l-alanine-?O:O'-bis-[tetra-aqua-terbium(III)] hexa-perchlorate.

Project description:The asymmetric unit of the title compound, [Tb(2)(C(3)H(7)NO(2))(4)(H(2)O)(8)](ClO(4))(6), contains a dinuclear cation and six perchlorate anions, one of which is disordered. In the cation, the four l-alanine mol-ecules are present in their zwitterionic form and bridge two Tb(3+) ions through their carboxyl-ate O atoms. Each Tb atom is also coordinated by four water mol-ecules in a square-anti-prismatic geometry. In the crystal structure, the cations and anions are held together via inter-molecular O-H?O and N-H?O hydrogen bonds.

| S-EPMC2979733 | biostudies-literature

Tetra-kis(μ-2-chloro-4-nitro-benzoato-κO:O')bis-[aqua-copper(II)].

Project description:In the title binuclear copper(II) complex, [Cu(2)(C(7)H(3)ClNO(4))(4)(H(2)O)(2)], each of the two independent Cu(II) center is five-coordinated by four O atoms of the carboxyl-ate groups in the basal plane and one O atom of a water mol-ecule in the apical position, in a distorted square-pyramidal geometry. The Cu-Cu distance is 2.6458 (4) Å. In the crystal structure, the dinuclear units are linked into a three-dimensional network by O-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds. One of the Cl atoms is disordered over two positions with occupancies of 0.650 (2) and 0.350 (2).

| S-EPMC2967917 | biostudies-literature

Tetra-kis(μ(2)-2-methyl-3,5-dinitro-benzoato-κO:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | biostudies-literature

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