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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)].

ABSTRACT: 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.

SUBMITTER: Yang J

PROVIDER: S-EPMC3120497 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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

Yang Juan J Dai Jun J

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

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-coordi ...[more]

PMID: 21754578

Similar Datasets

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)].

Project description: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.

| S-EPMC3212259 | biostudies-other

Tetra-kis(?-3-aza-niumylbenzoato)-?O:O,O';?O,O':O;?O:O'-bis-[tetra-aqua-neodymium(III)] hexa-chloride tetra-hydrate.

Project description:The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxyl-ate groups and two bidentate chelating bridging carboxyl-ate groups, with an Nd?Nd separation of 4.1259?(4)?Å. Each Nd(III) atom is nine-coordin-ated by five O atoms from the carboxyl-ate groups of the zwitterionic azaniumylbenzoate ligands and four from water mol-ecules. They adopt a distorted tricapped trigonal-prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7?(6) and 24.4?(5)°. The two carboxyl-ate groups are almost perpendicular to one another with a dihedral angle of 84.0?(7)°, while the two benzene rings are inclined to one another by 81.8?(2)°. The mol-ecular packing is stabilized by O-H(water)?Cl, O-H(water)?N, N-H?Cl, N-H?O, and O-H(water)?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.500?(3)?Å] between symmetry-related benzene rings. All of the Cl(-) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios.

| S-EPMC3089227 | 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-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(?(2)-2-methyl-3,5-dinitro-benzoato-?O: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 ?-? 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

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(?-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

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