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Tetra-aqua-bis(biuret-?O,O')gadolinium(III) trichloride.

ABSTRACT: In the title compound, [Gd(C(2)H(5)N(3)O(2))(2)(H(2)O)(4)]Cl(3), which is isostrucutural with its yttrium analogue, the Gd(3+) ion (site symmetry 2) is bonded to eight O atoms (arising from two O,O'-bidentate biuret mol-ecules and four water mol-ecules) in a distorted square-anti-prismatic arrangement. A network of N-H?O, N-H?Cl and O-H?Cl hydrogen bonds helps to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2.

SUBMITTER: Harrison WT

PROVIDER: S-EPMC2961212 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Tetra-aqua-bis(biuret-κO,O')gadolinium(III) trichloride.

Harrison William T A WT

Acta crystallographica. Section E, Structure reports online 20080402 Pt 5

In the title compound, [Gd(C(2)H(5)N(3)O(2))(2)(H(2)O)(4)]Cl(3), which is isostrucutural with its yttrium analogue, the Gd(3+) ion (site symmetry 2) is bonded to eight O atoms (arising from two O,O'-bidentate biuret mol-ecules and four water mol-ecules) in a distorted square-anti-prismatic arrangement. A network of N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds helps to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2. ...[more]

PMID: 21202175

Similar Datasets

Tetra-aqua-bis(biuret-κO,O')yttrium(III) trichloride.

Project description:In the title compound, [Y(C(2)H(5)N(3)O(2))(2)(H(2)O)(4)]Cl(3), the Y(3+) ion (site symmetry 2) is bonded to eight O atoms (arising from two O,O'-bidentate biuret mol-ecules and four water mol-ecules) in a distorted square-anti-prismatic arrangement. A network of N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds help to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2.

| S-EPMC2961277 | biostudies-literature

Hydroxonium triaqua-bis(biuret-κO,O')dichloridolanthanum(III) dichloride dihydrate.

Project description:In the title compound, (H(3)O)[LaCl(2)(C(2)H(5)N(3)O(2))(2)(H(2)O)(3)]Cl(2)·2H(2)O, the La atom is bonded to seven O atoms (arising from two O,O'-bidentate biuret mol-ecules and three water mol-ecules) and two chloride ions in an irregular arrangement. A network of N-H⋯O, N-H⋯Cl, O-H⋯O and O-H⋯Cl hydrogen bonds helps to establish the packing, leading to a three-dimensional network. The La atom, one Cl atom and four O atoms lie on a crystallographic mirror plane.

| S-EPMC2961074 | biostudies-literature

Bis[μ-2-(4-hydroxyphenyl)acetato]-κO,O':O;κO:O,O'-bis{aqua(4,4'-bi-pyri-dine-κN)bis[2-(4-hydroxyphenyl)acetato-κO,O']gadolinium(III)} monohydrate.

Project description:In the dinuclear title complex, [Gd(2)(C(8)H(7)O(3))(6)(C(10)H(8)N(2))(2)(H(2)O)(2)]·H(2)O, the two Gd(III) ions are nine-coordinated by seven O atoms from four deprotonated p-hy-droxy-phenyl-acetic acid (PAA) ligands, one water O atom and an N atom from a 4,4'-bypyridine (bipy) ligand in a distorted tricapped trigonal-prismatic geometry. The deprotonated PAA ligands are coordinated to the Gd(III) atom either as chelating on the same metal or in a tridentate bridging mode. Numerous O-H⋯O and O-H⋯N hydrogen bonds involving hydroxyl, coordinated and uncoordinated water mol-ecules build up an intricate three-dimensional network.

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Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H⋯O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

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Di-μ-benzoato-κO,O':O';κO:O,O'-bis[aqua-bis-(benzoato-κO,O')(dimethylformamide-κO)europium(III)].

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Tetra-aqua-bis(2-methyl-benzimidazolium-1,3-diacetato-κO)zinc(II) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(12)H(11)N(2)O(4))(2)(H(2)O)(4)]·4H(2)O, contains one-half of the complex mol-ecule and two uncoordin-ated water mol-ecules. The four water O atoms in the equatorial plane around the Zn(II) centre ( symmetry) form a distorted square-planar arrangement, while the distorted octa-hedral coordination geometry is completed by the O atoms of the zwitterionic 2-methyl-benzimidazolium-1,3-diacetate ligands in the axial positions. The benzimidazole ring system is planar, with a maximum deviation of 0.041 (3) Å. Intra-molecular O-H⋯O hydrogen bonding results in the formation of a non-planar six-membered ring. In the crystal structure, strong intra- and inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between benzimidazole rings [centroid-centroid distance = 3.899 (1) Å] may further stabilize the structure.

| S-EPMC2969862 | biostudies-literature

Poly[[aqua-bis(μ(3)-isonicotinato-κO:O':N)tris-(μ(2)-isonicotinato-κO,O':N)(nitrato-κO)bis-(μ(4)-oxalato-κO,O:O:O,O:O)dierbium(III)tetra-silver(I)] tetra-hydrate].

Project description:In the title coordination polymer, {[Ag(4)Er(2)(C(6)H(4)NO(2))(5)(C(2)O(4))(2)(NO(3))(H(2)O)]·4H(2)O}(n), each Er(III) atom is coordinated in a bicapped trigonal-prismatic coordination geometry by three O atoms from two isonicotinate (IN) ligands, four O atoms from two oxalate ligands and one O atom from either a nitrate ion or a water mol-ecule, both of which are half-occupied over the same site. One Ag(I) atom has a Y-shaped geometry defined by one N atom from one IN ligand, one O atom from another IN ligand and one O atom from an oxalate ligand. The other Ag(I) atom is coordinated by two IN ligands and one O atom from an oxalate ligand. One of the IN ligands is disordered over an inversion center and forms a bridge between two centrosymmetric Ag(I) ions. Due to the disorder, this IN ligand coordinates to the Ag atom through either the pyridyl N or the carboxyl-ate O atoms. The IN and oxalate ligands link the Er and Ag atoms into a three-dimensional coordination framework. O-H⋯O and C-H⋯O hydrogen bonds are observed in the crystal structure.

| S-EPMC2969826 | biostudies-literature

Bis(2,3-diamino-pyridinium) bis-(μ-pyridine-2,6-dicarboxyl-ato)-κO,N,O:O;κO:O,N,O-bis-[aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)bis-muthate(III)] tetra-hydrate.

Project description:In the centrosymmetric dinuclear complex anion of the title compound, (C(5)H(8)N(3))(2)[Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)(2)]·4H(2)O, the Bi(III) atom is eight-coordinated in an N(2)O(6) environment and has a distorted bicapped trigonal-prismatic coordination environment. Extensive inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds lead to the stability of the crystal structure. Inter-actions between one C-H group of the 2,3-diamino-pyridinium [(2,3-dapyH)(+)] cation and the aromatic ring of the pyridine-2,6-dicarboxyl-ate (pydc) ligand (C-H⋯centroid distance = 2.78 Å) and π-π inter-actions between the (2,3-dapyH)(+) cations and between the (2,3-dapyH)(+) cation and the pydc ligand [centroid-centroid distances = 3.489 (5) and 3.694 (5) Å] are observed.

| S-EPMC3052092 | biostudies-literature

Aqua-dipicrato(tetra-ethyl-ene glycol)gadolinium(III) picrate methanol hemisolvate.

Project description:THE ASYMMETRIC UNIT OF THE TITLE COMPOUND [SYSTEMATIC NAME: aqua-bis(2,4,6-trinitro-phenolato)(3,6,9-trioxaundecane-1,11-diol)gadolinium(III) 2,4,6-trinitro-phenolate methanol hemi-solvate], [Gd(C(6)H(2)N(3)O(7))(2)(C(8)H(18)O(5))(H(2)O)](C(6)H(2)N(3)O(7))·0.5CH(4)O, contains two crystallographically independent Gd(III) complex cations with two uncoordinated picrate anions and one methanol mol-ecule. Each Gd(III) atom has nine coordination sites occupied by five O atoms of tetra-ethyl-ene glycol as a penta-dentate ligand, one O atom of a water mol-ecule and three O atoms of the two picrate anions as bidentate and monodentate ligands. The geometry is distorted tricapped trigonal prismatic. The mean planes of the two coordinated mono- and bidentate picrate ligands to the Gd(III) center are almost perpendicular to each other, as indicated by the dihedral angles of 89.92?(8) and 86.60?(8)° in the two complex cations. The ions are arranged in a two-dimensional network parallel to the ac plane. Short O?O and N?O contacts between the nitro groups, intra-molecular C-H?O hydrogen bonds, inter-molecular O-H?O, O-H?N and C-H?O hydrogen bonds, and two ?-? inter-actions between benzene rings [centroid-centroid distances = 3.8073?(10)-3.9831?(10)?Å] are observed. The methanol solvent mol-ecule is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.

| S-EPMC2960575 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-κO,O)(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')gadolinium(III).

Project description:In the mononuclear title complex, [Gd(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], the Gd atom is in a pseudo-bicapped square-anti-prismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from a nitrate anion. π-π stacking inter-actions between phen-DHB [centroid-centroid distances = 3.5334 (18) and 3.8414 (16) Å] and phen-phen [face-to-face separation = 3.4307 (17) Å] ligands of adjacent complex molecules stabilize the crystal structure. Intra-molecular O-H⋯O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3011409 | biostudies-literature

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