Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Publications

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-?O,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

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

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

Poly[tetra-deca-aqua-tetra-kis-(?(3)-1H-imidazole-4,5-dicarboxyl-ato)tetra-?(3)-sulfato-cobalt(II)hexa-gadolinium(III)].

Project description:The asymmetric unit of the title compound, [CoGd(6)(C(5)H(2)N(2)O(4))(4)(SO(4))(6)(H(2)O)(14)](n), contains a Co(II) ion (site symmetry [Formula: see text]), three Gd(III) ions, two imidazole-4,5-dicarboxyl-ate ligands, three SO(4) (2-) anions, and seven coordinated water mol-ecules. The Co(II) ion is six-coordinated by two O atoms from water mol-ecules, two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands, giving a slightly distorted octa-hedral geometry. The Gd(III) ions exhibit three types of coordination environments. One Gd ion is eight-coordinated in a bicapped trigonal-prismatic geometry by four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, two O atoms from two SO(4) (2-) anions and two coordinated water mol-ecules. The other Gd ions are nine-coordinated in a tricapped trigonal-prismatic geometry; one of these Gd ions is bonded to four O atoms from two imidazole-4,5-dicarboxyl-ate ligands, three O atoms from three SO(4) (2-) anions and two water O atoms and the other Gd ion is coordinated by one O atom and one N atom from one imidazole-4, 5-dicarboxyl-ate ligand, five O atoms from three SO(4) (2-) anions as well as two coordinated water mol-ecules. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate and sulfate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions between water mol-ecules, SO(4) (2-) anions, and imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3212143 | biostudies-literature

Tetra-aqua-bis-(2,6-dihy-droxy-benzoato-?O)(2,6-dihy-droxy-benzoato-?O,O)gadolinium(III) dihydrate.

Project description:In the title compound, [Gd(C(7)H(5)O(4))(3)(H(2)O)(4)]·2H(2)O, the Gd(III) ion shows a distorted square anti-prismatic coordination formed by four aqua ligands and four O atoms from the three 2,6-dihy-droxy-benzoate (L) ligands. Two L ligands coordinate the Gd(III) ion in a monodentate mode, while the third coordinates it in a bidentate-chelating coordination mode. An extensive three-dimensional O-H?O hydrogen-bonding network consolidates the crystal packing.

| S-EPMC3120440 | biostudies-other

Hexa-aqua-nickel(II) bis-[tri-aqua-?3-oxalato-di-?-oxalato-bariumchromate(III)] tetra-hydrate.

Project description:The title compound, [Ni(H2O)6][BaCr(C2O4)3(H2O)3]2·4H2O, was obtained in the form of single crystals from the slow evaporation of an aqueous mixture of {Ba6(H2O)17[Cr(C2O4)3]4}·7H2O and NiSO4·6H2O in the molar ratio 1:4. Its structure is made up of corrugated anionic (101) layers of formula [BaCr(C2O4)3(H2O)3] n n - that leave voids accommodating the charge-compensating cations, [Ni(H2O)6]2+ (point group symmetry ), as well as the water mol-ecules of crystallization. The anionic layers are built from the connection of barium and chromium atoms through bridging oxalate ligands. The CrIII atom is hexa-coordinated by O atoms of three oxalate ligands while the BaII atom is tenfold coordinated by three O atoms of water mol-ecules and seven O atoms of four oxalate ligands. Each NiII atom sits on an inversion center and is coordinated by six water mol-ecules. One of the uncoordinated water mol-ecules is disordered over two sites, with a refined occupancy ratio of 0.51?(5):0.49?(5). In the crystal, extensive O-H?O hydrogen-bonding inter-actions link the anionic layers, the charge-balancing cations as well as the water mol-ecules of crystallization into a three-dimensional supra-molecular network.

| S-EPMC7405579 | biostudies-literature

Tetra-μ-2,5-difluoro-benzoato-bis-[(2,2'-bipyridine)(2,5-difluoro-benzoato)gadolinium(III)].

Project description:In the centrosymmetric title compound, [Gd(2)(C(7)H(3)F(2)O(2))(6)(C(10)H(8)N(2))(2)], the asymmetric unit comprises one cation chelated by two 2,5-difluoro-benzoate and one 2,2'-bipyridine. Two cations are linked into dimers via three bridging carboxyl-ate groups from three 2,5-difluoro-benzoic acid units. The Gd(III) ion is nine-coord-inated by seven O atoms and two N atoms.

| S-EPMC2960618 | biostudies-literature

Bis[4-(dimethyl-amino)-pyridinium] octa-aqua-chloridolanthanum(III) tetra-chloride trihydrate.

Project description:The title organic-inorganic salt, (C(7)H(11)N(2))(2)[LaCl(H(2)O)(8)]Cl(4)·3H(2)O, consists of two 4-(dimethyl-amino)-pyridinium and one [La(H(2)O)(8)Cl](2+) cations, four chloride anions and three solvent water mol-ecules. In the crystal, the various units are connected by N-H⋯Cl, O-H⋯Cl, O-H⋯O and N-H⋯O hydrogen bonds, forming a network of alternating organic and inorganic layers. The 4-(dimethyl-amino)-pyridinium cations stack along the c axis, while the inorganic layers lie parallel to the ac plane. The chloride anions are located between these entities, forming hydrogen bonds with the NH atom of the pyridinium ions and the water mol-ecules. There are also C-H⋯Cl hydrogen bonds present involving one of the 4-(dimethyl-amino)-pyridinium cations, resulting in the formation of a three-dimensional supra-molecular architecture.

| S-EPMC3515091 | biostudies-literature

Tetra-aqua-bis-(tetra-zolido-?N)magnesium.

Project description:In the crystal structure of the title compound, [Mg(CHN(4))(2)(H(2)O)(4)], the Mg(II) atom is six-coordinated by two N atoms from two tetra-zolide anions and four O atoms from four coordinated water mol-ecules in a slightly distorted octa-hedral geometry. The Mg atom is located on centres of inversion whereas the tetra-zolide anion and the water mol-ecules occupy general positions. The crystal packing is stabilized by intermolecular O-H?N hydrogen bonding between the tetra-zolide anions and the coordinated water mol-ecules.

| S-EPMC3007222 | biostudies-literature

Tris(2,2'-bipyridine-κN:N')cobalt(III) trichloride tetra-hydrate.

Project description:The title compound, [Co(C(10)H(8)N(2))(3)]Cl(3)·4H(2)O, contains discrete [Co(bpy)(3)](3+) cations (bpy is 2,2'-bipyridine), Cl(-) anions and water mol-ecules. The [Co(bpy)(3)](3+) complex cation exhibits C(2) symmetry with the twofold axis through the central Co atom and bis-ecting one bpy ligand and one of the Cl(-) anions. The four solvent water mol-ecules and the remaining two Cl(-) anions lie on a mirror plane. Hydrogen-bond inter-actions define a two-dimensional layer structure parallel to (100), which consists of seven-membered [Cl(2)(H(2)O)(5)], eight-membered [Cl(4)(H(2)O)(4)] and ten-membered [Cl(2)(H(2)O)(8)] rings.

| S-EPMC2959986 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data