Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes targeting HSP90-HER2 axis in breast cancer cells.

Novel O-acylated (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-one oximes were designed as potential HSP90 inhibitors. A series of the compounds was synthesized by oximation of (E)-3-aryl-6,7-dihydrobenzisoxazol-4(5H)-ones followed by O-acylation with acylamidobenzoic acids. The obtained compounds showed an antiproliferative effect on three breast cancer cell lines (MCF7, MDA-MB-231 and HCC1954). Compound 16s exhibited high antiproliferative potency against HCC1954 breast cancer cells with the IC50 value of 6 µM was selected for in-depth evaluation. Compound 16s did not inhibit the growth of normal epithelial cells. We have demonstrated that the compound 16s can induce apoptosis in cancer cells via inhibition of HSP90 "client" proteins including a key oncogenic receptor, HER2/neu. Described here compounds can be considered for further basic and preclinical investigation as a part of HSP90/HER2-targeted therapies.

trans-Chloridobis-(ethane-1,2-di-amine-κ(2) N,N')(thio-cyanato-κN)cobalt(III) diammine-tetra-kis-(thio-cyanato-κN)cromate(III).

The title ionic complex [CoCl(NCS)(C2H8N2)2][Cr(NCS)4(NH3)2], which crystallizes as a non-merohedral twin, is build up of a complex cation [CoCl(NCS)(en)2](+) (en is ethane-1,2-di-amine) and the Reinecke's salt anion [Cr(NCS)4(NH3)2](-) as complex counter-ion. A network of N-H⋯S and N-H⋯Cl hydrogen bonds, as well as short S⋯S contacts [3.538 (2) and 3.489 (3) Å], between the NCS groups of the complex anions link the mol-ecules into a three-dimentional supra-molecular network. Intensity statistic indicated twinning by non-mero-hedry with refined weighs of twin components are 0.5662:0.4338.

Crystal structure of {2-[({2-[(2-amino-eth-yl)amino]-eth-yl}imino)-meth-yl]pheno-lato}aqua-copper(II) bromide.

In the mononuclear copper(II) title complex, [Cu(C11H16N3O)(H2O)]Br, the Cu(II) atom is coordinated by one O and three N atoms of the Schiff base ligand that forms together with one water mol-ecule a slightly distorted [CuN3O2] square-pyramidal polyhedron. The deviation of the Cu(II) atom from the mean equatorial plane is 0.182 (2) Å. The equatorial plane is nearly coplanar to the aromatic ring of the ligand [angle between planes = 10.4 (1)°], and the water molecule is situated in the apical site. All coordinating atoms (except the imine nitro-gen) and the bromide ion contribute to the formation of the N-H⋯Br, O-H⋯Br and O-H⋯O hydrogen bonds, which link mol-ecules into chains along [01-1].

Poly[[tri-µ-aqua-do-deca-aqua-tris-(µ3-1-hy-droxy-ethyl-idene-1,1-di-phospho-nato)tricalcium(II)tripalladium(II)] penta-hydrate].

The asymmetric unit of the title compound, {[CaPd{CH3OHC(PO3)2}(H2O)5]·5/3H2O} n , consists of one half of the complex [Pd{CH3OHC(PO3)2}](2-) anion (point group symmetry m..), one Ca(2+) cation [site symmetry (.2.)] that is surrounded by three water mol-ecules (one of which is on the same rotation axis) and by three disordered lattice water mol-ecules. The anions form a trinuclear metallocycle around a crystallographic threefold rotation axis. The cations are related by a twofold rotation axis to form a [Ca2(H2O)10](2+) dimer. The slightly distorted square-planar coordination environment of the Pd(II) atoms in the complex anions is formed by O atoms of the bidentate chelating phospho-nate groups of the 1-hy-droxy-ethyl-idene-1,1-di-phospho-nate ligands. In the crystal, cations are bound to anions through -Ca-O-P-O- bonds, as well as through O-H⋯O hydrogen bonds, resulting in a three-dimensional polymer. The structure is completed by five disordered solvent mol-ecules localized in cavities within the framework.

Chlorido-bis-(1,10-phenanthroline-κ(2) N,N')copper(II) chlorido-(1,10-phen-anthroline-κ(2) N,N')(pyridine-2,6-di-carboxyl-ato-κ(3) O (2),N,O (6))manganate(II) methanol monosolvate.

The title complex, [CuCl(C12H8N2)2][Mn(C7H3NO4)Cl(C12H8N2)]·CH3OH, consists of discrete [CuCl(phen)2](+) cations (phen is 1,10-phenanthroline), [MnCl(pydc)(phen)](-) anions (H2pydc is 2,6-pyridine-2,6-di-carb-oxy-lic acid) and one methanol solvent mol-ecule of crystallization per asymmetric unit. It should be noted, that a solvent-masking procedure as implemented in OLEX2 [Dolomanov et al. (2009). J. Appl. Cryst. 42, 339-341 ▶] was used to remove the electronic contribution from one disordered solvent molecule, presumably methanol. Only the atoms used in the refined model are reported in chemical formula and related values. The Cu(II) ion is five-coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle between the phen ligands is 65.21 (5)°. The Mn(II) ion is six-coordinated by one Cl atom, two N atoms from a phen ligand, as well one N atom and two O atoms from pydc in a distorted octa-hedral coordination geometry, with cis angles ranging from 72.00 (8) to 122.07 (8)° and trans angles ranging from 143.98 (8) to 163.15 (6)°. In the crystal, C-H⋯O, O-H⋯O and C-H⋯Cl hydrogen bonds, cation-anion π-π inter-actions between the phen ring systems with centroid-centroid distances in the range 3.881 (34)-4.123 (36) Å, as well as cation-cation, anion-anion π-π inter-actions between the phen rings with centroid-centroid distances in the range 3.763 (4)-3.99 (5) Šand pydc rings with centroid-centroid distances 3.52 (5) Šlink the various components.

Attractive and repulsive forces in a crystal of [Rb(18-crown-6)][SbCl6] under high pressure.

The compression behavior of [Rb(18-crown-6)][SbCl6] crystal under pressure up to 2.16 (3) GPa was investigated in a diamond anvil cell (DAC) using a mixture of pentane-isopentane (1:4) as the pressure-transmitting fluid. The compound crystallizes in trigonal space group R3 and no phase transition was observed in the indicated pressure range. The low value of pressure bulk modulus [9.1 (5) GPa] found in this crystal is a characteristic of soft materials with predominant dispersive and electrostatic interaction forces. The nonlinear relationship between unit-cell parameters under high pressure is attributed to the influence of reduced intermolecular H...Cl contacts under pressure over 0.73 GPa. It also explains the high compression efficiency of [Rb(18-crown-6)][SbCl6] crystals at relatively low pressures, resulting in a significant shift of the Rb atom to the center of the crown ether cavity. At pressures above 0.9 GPa, steric repulsion forces begin to play a remarkable role, since an increasing number of interatomic H...Cl and H...H contacts become shorter than the sum of their van der Waals (vdW) radii. Below 0.9 GPa, both unit-cell parameter dependences (P-a and P-c) exhibit hysteresis upon pressure release, demonstrating their influence on the disordered model of Rb atoms. The void reduction under pressure also demonstrates two linear sections with the inflection point at 0.9 GPa. Compression of the crystal is accompanied by a significant decrease in the volume of the voids, leading to the rapid approach of Rb atoms to the center of the crown ether cavity. For the Rb atom to penetrate into the center of the crown ether cavity in [Rb(18-crown-6)][SbCl6], it is necessary to apply a pressure of about 2.5 GPa to disrupt the balance of atomic forces in the crystal. This sample serves as a compression model demonstrating the influence of both attractive and repulsive forces on the change in unit-cell parameters under pressure.

Bis[chloridobis(1,10-phenanthroline)copper(II)] penta-cyanido-nitro-soferrate(II) di-methyl-formamide monosolvate.

The title complex [CuCl(C12H8N2)2]2[Fe(CN)5(NO)]·C3H7NO, consists of discrete [Cu(phen)2Cl](+) cations (phen is 1,10-phenanthroline), [Fe(CN)5NO](2-) anions and one di-methyl-formamide (DMF) solvent mol-ecule of crystallization per asymmetric unit. The Cu(II) atom is coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal-bipyramidal geometry. The dihedral angle between the phen ligands is 77.92 (7)°. The cation charge is balanced by a disordered nitro-prusside counter-anion with the Fe(II) atom located on an inversion center with a slightly distorted octa-hedral coordination geometry. In the crystal, weak C-H⋯N and C-H⋯Cl hydrogen bonds connect anions and cations into a two-dimensional network parallel to (100). In addition, π-π stacking inter-actions are observed with centroid-centroid distances in the range 3.565 (2)-3.760 (3)Å. The di-methyl-formamide solvent mol-ecule was refined as disordered about an inversion center.

Tris(2,2'-bipyridine)-copper(II) penta-cyanido-nitro-soferrate(II) methanol disolvate monohydrate.

The title complex [Cu(C10H8N2)3][Fe(CN)5(NO)]·2CH3OH·H2O, consists of discrete [Cu(bpy)3](2+) cations (bpy is 2,2'-bipyridine), [Fe(CN)5NO](2-) anions and solvent mol-ecules of crystallization (two methanol mol-ecules and one water mol-ecules per asymmetric unit). The Cu(II) ion adopts a distorted octa-hedral environment, coordinated by six N atoms from three bpy ligands. The cation charge is balanced by a nitro-prusside counter-anion, which has a slightly distorted octa-hedral coordination geometry. In the crystal, anions and solvent mol-ecules are involved in O-H⋯N and O-H⋯O hydrogen bonds, which form chains along [100]. The cations are located between these chains.

Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) penta-cyanido-nitro-soferrate(II).

The asymmetric unit of the title complex [Cu(C14H12N2)2]2[Fe(CN)5(NO)], consists of a [Cu(dmp)2](+) cation (dmp is 2,9-dimethyl-1,10-phenanthroline) and half an [Fe(CN)5(NO)](2-) anion. The anion is disordered across an inversion center with the Fe(II) ion slightly offset (ca 0.205Å) from the inversion center in the direction of the disordered trans-coordinating CN/NO ligands. The anion has a distorted octa-hedral coordination geometry. The Cu(I) ion is coordinated by two phenanthroline ligands in a distorted tetra-hedral geometry. The dihedral angle between the phenanthroline ligands is 77.16 (4) Å. In the crystal, the cations are connected to the anions by weak C-H⋯N hydrogen bonds. In addition, weak π-π stacking inter-actions are observed, with centroid-centroid distances in the range 3.512 (3)-3.859 (3) Å.

Novel heterometallic Schiff base complexes featuring unusual tetranuclear {Co(III)2Fe(III)2(µ-O)6} and octanuclear {Co(III)4Fe(III)4(µ-O)14} cores: direct synthesis, crystal structures, and magnetic properties.

A one-pot reactions of cobalt powder with iron(II) chloride in dimethylformamide (DMF; 1) or dimethyl sulfoxide (DMSO; 2) solutions of polydentate salicylaldimine Schiff base ligands (H(2)L(1), 1; H(4)L(2), 2) based on 2-aminobenzyl alcohol (1) or tris(hydroxymethyl)aminomethane (2), formed in situ, yielded two novel heterometallic complexes, [Co(III)(2)Fe(III)(2)(L(1))(6)]·4DMF (1) and [Co(III)(4)Fe(III)(4)(HL(2))(8)(DMSO)(2)]·18DMSO (2). Crystallographic investigations revealed that the molecular structure of 1 is based on a tetranuclear core, {Co(III)(2)Fe(III)(2)(µ-O)(6)}, with a chainlike metal arrangement, while the structure of 2 represents the first example of a heterometallic octanuclear core, {Co(III)(4)Fe(III)(4)(µ-O)(14)}, with a quite rare manner of metal organization, formed by two pairs of {CoFe(HL(2))(2)} and {CoFe(HL(2))(2)(DMSO)} moieties, which are joined by O bridges of the Schiff base ligands. Variable-temperature (1.8-300 K) magnetic susceptibility measurements showed a decrease of the µ(B) value at low temperature, indicative of antiferromagnetic coupling (J/hc = -32 cm(-1) in 1; J/hc = -20 cm(-1) in 2) between the Fe(III) magnetic centers in both compounds. For 2, three J constants between Fe(III) centers were assumed to be identical. High-frequency electron paramagnetic resonance spectra allowed one to find spin Hamiltonian parameters in the coupled-spin triplet and quintet states of 1 and estimate them in 2. The "outer" and "inner" Fe atoms in 2 appeared separately in the Mössbauer spectra.

Cadmium(II) chloride, bromide and iodide complexes with 4,4'-bipyridazine: when are diazine and halide bridges (in)compatible?

In poly[di-µ-chlorido-µ-(4,4'-bipyridazine)-κ(2)N(1):N(1')-cadmium(II)], [CdCl(2)(C(8)H(6)N(4))](n), (I), and its isomorphous bromide analogue, [CdBr(2)(C(8)H(6)N(4))](n), (II), the halide atom lies on a mirror plane and the Cd(II) ion resides at the intersection of two perpendicular mirror planes with m2m site symmetry. The pyridazine rings of the ligand lie in a mirror plane and are related to each other by a second mirror plane perpendicular to the first. The compounds adopt the characteristic structure of the [M(II)X(2)(bipy)] type (bipy is bipyridine) based on crosslinking of [Cd(µ-X)(2)](n) chains [Cd-Cl = 2.5955 (9) and 2.6688 (9) Å; Cd-Br = 2.7089 (4) and 2.8041 (3) Å] by bitopic rod-like organic ligands [Cd-N = 2.368 (3)-2.380 (3) Å]. This feature is discussed in terms of supramolecular stabilization, implying that the periodicity of the inorganic chain [Cd···Cd = 3.7802 (4) Å in (I) and 3.9432 (3) Å in (II)] is favourable for extensive parallel π-π stacking of monodentate pyridazine rings, with centroid-centroid distances of 3.7751 (4) Å in (I) and 3.9359 (4) Å in (II). This is not the case for the longer iodide bridges, which cannot stabilize such a pattern. In poly[tetra-µ-iodido-µ(4)-(4,4'-bipyridazine)-κ(4)N(1):N(2):N(1'):N(2')-dicadmium(II)], [Cd(2)I(4)(C(8)H(6)N(4))](n), (III), the ligands are situated across a centre of inversion; they are tetradentate [Cd-N = 2.488 (2) and 2.516 (2) Å] and link successive [Cd(µ-I)(2)](n) chains [Cd-I = 2.8816 (3)-3.0069 (4) Å] into corrugated layers.

Diaqua-bis-(propane-1,3-diamine)-nickel(II) bis-(propane-1,3-diamine)-disulfato-nickelate(II).

The ionic Ni(II) title complex, [Ni(C(3)H(10)N(2))(2)(H(2)O)(2)][Ni(SO(4))(2)(C(3)H(10)N(2))(2)], is built up of [Ni(dipr)(2)(H(2)O)(2)](2+) complex cations and [Ni(dipr)(2)(SO(4))(2)](2-) complex anions (dipr is propane-1,3-diamine). Both Ni(II) atoms display a slightly distorted octa-hedral coordination and are located on inversion centers. There are several types of hydrogen-bonding inter-actions, which connect complex cations and anions into a two-dimensional network parallel to (010). Hydrogen bonds formed by the axially coordinated water mol-ecule of the complex cation and one of the O atoms of the sulfate groups of the complex anion (first type) link them into chains along the c axis. These chains are linked to each other through hydrogen bonds formed by an O atom (second type) of the SO(4) groups and NH(2) groups of the ligand of the complex cations from neighboring chains, forming a two-dimensional hydrogen-bonded net perpendicular to the b axis. The third type of O atoms of the sulfate groups of the complex anion are also linked into chains by a combination of both previously described types of H-atom connections.

Tetra-kis(µ(2)-cyanido-κ(2)C:N)dicyanido-tetra-kis-[tris-(2-amino-eth-yl)amine-κ(3)N,N',N'',N''']tetra-copper(II)iron(II) bis[pentacyanidonitrosoferrate(II)] hexahydrate.

The asymmetric unit of the title complex, [Cu(4)Fe(CN)(6)(C(6)H(18)N(4))(4)][Fe(CN)(5)(NO)](2)·6H(2)O, comprises a complex [{Cu(tren)CN}(4)Fe(CN)(2)](4+) [tren is tris-(2-amino-eth-yl)amine] cation, which exhibits -1 symmetry with the terminal cyanide ligands oriented trans to each other, and two [Fe(CN)(5)(NO)](2-) nitroprussiate counter-anions. In the crystal, N-H⋯N hydrogen-bonding inter-actions are observed between H atoms on the primary amine groups of the tren ligand and the terminal cyanide groups of the nitro-prussiate counter-ions. The N atom in the terminal CN ligand of the cation is equally disordered over two positions. The structure also contains disordered lattice water mol-ecules. Their contribution was elimin-ated from the refinement using the procedure described by van der Sluis & Spek (1990 ▶).

Bis(µ-4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolato)bis-[chlorido(dimethyl sulfoxide)-iron(III)] dimethyl sulfoxide disolvate.

In the centrosymmetric dimeric title complex, [Fe(2)(C(14)H(10)N(2)O(4))(2)Cl(2)(C(2)H(6)OS)(2)]·2C(2)H(6)OS, two {Fe(L)Cl(DMSO)} units (L is the tridentate ligand 4-nitro-2-{[2-(oxidometh-yl)phen-yl]imino-meth-yl}phenolate; DMSO is dimethyl sulfoxide) are bridged by two O atoms, with an Fe⋯Fe separation of 3.1838 (8) Å. The coordination polyhedron of the Fe(III) atoms can be described as distorted octa-hedral, with four Fe-O, one Fe-N and one Fe-Cl coordination bonds. The L ligand is not planar, the dihedral angle between the 2-(oxidometh-yl)phen-yl]imino and 4-nitro-2-(imino-meth-yl)phenolate planes being 48.54 (9)°. The solvent DMSO molecule is disordered over two orientations with equal occupancy.

Bis[2-(hy-droxy-imino-meth-yl)phenolato]nickel(II): a second monoclinic polymorph.

The title compound, [Ni(C(7)H(6)NO(2))(2)], (I), is a second monoclinic polymorph of the compound, (II), reported by Srivastava et al. [Acta Cryst. (1967), 22, 922] and Mereiter [Private communication (2002) CCDC refcode NISALO01]. The bond lengths and angles are similar in both structures. The mol-ecule in both structures lies on a crystallographic inversion center and both have an inter-nal hydrogen bond. The title compound crystallizes in the space group P2(1)/c (Z = 2), whereas compound (II) is in the space group P2(1)/n (Z = 2) with a similar cell volume but different cell parameters. In both polymorphs, mol-ecules are arranged in the layers but in contrast to the previously published compound (II) where the dihedral angle between the layers is 86.3°, in the title polymorph the same dihedral angle is 29.4°. The structure of (I) is stabilized by strong intra-molecular O-H⋯O hydrogen bonding between the O-H group and the phenolate O atom.

Diaqua-bis-(propane-1,3-diamine)-copper(II) bis-[diamminetetra-kis-(thio-cyanato-κN)chromate(III)] dimethyl sulfoxide octa-solvate.

The ionic title complex, [Cu(C(3)H(10)N(2))(2)(H(2)O)(2)][Cr(NCS)(4)(NH(3))(2)]·8C(2)H(6)OS, consists of complex [Cu(dipr)(2)(H(2)O)(2)](2+) copper cations (dipr is propane-1,3-diamine), complex [Cr(NCS)(4)(NH(3))(2)](-) anions and uncoord-inated solvent dimethyl sulfoxide (DMSO) mol-ecules. All the metal atoms lie on crystallographic centers of symmetry. The cations are connected to the anions through N-H⋯O hydrogen bonds between the NH(3) mol-ecules of the anion and the water mol-ecules of the cation. The DMSO mol-ecules are involved in hydrogen-bonded linkage of the [Cr(NCS)(4)(NH(3))(2)](-) anions into supra-molecular chains through bridging O atoms. A network of hydrogen bonds as well as short S⋯S contacts [3.5159 (12) and 3.4880 (12) Å] between the NCS groups of the complex anions link the mol-ecules into a three-dimensional supra-molecular network.

Bis[N-(2-amino-eth-yl)ethane-1,2-diamine-κN,N',N'']copper(II) tris-[diamminetetra-kis-(thio-cyanato-κN)chromate(III)] thio-cyanate dimethyl sulfoxide tetra-deca-solvate monohydrate.

The ionic title complex, [Cu(C(4)H(13)N(3))(2)](2)[Cr(NCS)(4)(NH(3))(2)](3)(NCS)·14C(2)H(6)OS·H(2)O, consists of complex [Cu(dien)(2)](2+) cations [dien is N-(2-amino-eth-yl)ethane-1,2-diamine], com-plex [Cr(NCS)(4)(NH(3))(2)](-) anions, an NCS(-) counter-anion and uncoordinated dimethyl sulfoxide (DMSO) and water solvent mol-ecules. One of the Cr atoms lies on an inversion center, while the second Cr atom and the Cu atom lie in general positions. The thio-cyanate counter-anion and water mol-ecule are disordered over two positions close to an inversion center. There are several types of hydrogen-bond inter-actions present in the title compound, which connect the complex cations and anions into bulky [Cu(2)Cr(3)] polynuclear species. The four NH(3) groups of the complex anions and six bridging DMSO O atoms link the three complex anions via hydrogen bonding into the anionic polynuclear species [Cr(NCS)(4)(NH(3))(2)](3)·6DMSO. The last one is connected by four bridging DMSO O atoms with the two complex copper cations through N-H⋯ O hydrogen bonds between the terminal NH(3) groups of the anionic polynuclear species and the NH and NH(2) groups of the dien ligand. One additional DMSO mol-ecule is connected via hydrogen bonding to one of the terminal NH(3) groups of the anionic polynuclear species. Another DMSO mol-ecule is connected via hydrogen bonding to each Cu(dien)(2)](2+) cation.

Synthesis and crystal structure of a solvated CoIII complex with 2-hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone ligands.

The title CoIII complex, bis-[bis-(2-hy-droxy-3-meth-oxy-benzaldehyde thio-semi-carbazonato)cobalt(III)] di-thio-nate-dimethylformamide-methanol (1/4/3), [Co(C9H10N3O2S)2]2(S2O6)·4C3H7NO·3CH3OH, with monodeprotonated 2-hy-droxy-3-meth-oxy-benzaldehyde thio-semicarbazone as ligands crystallizes in the space group P . The asymmetric unit consists of two mononuclear [CoL 2]+ cations, one di-thio-nate anion (S2O6)2- as counter-anion and seven solvate mol-ecules (four di-methyl-methanamide and three methanol). Each CoIII ion has a moderately distorted octa-hedral S2N2O2 geometry. In the crystal, the components are linked by numerous N-H⋯O and O-H⋯O contacts.

A bis-chelate o-vanillin-2-ethano-lamine copper(II) complex bearing both imine and amine forms of the ligand.

The mol-ecular bis-chelate complex (2-{[(2-hy-droxy-ethyl-κO)amino-κN]meth-yl}-6-meth-oxy-phenolato-κO)(2-{[(2-hy-droxy-eth-yl)imino-κN]meth-yl}-6-meth-oxy-phenolato-κO)copper(II), [Cu(C10H14NO3)(C10H12NO3)] or [Cu(HL im)(HL am); HL im = C10H14NO3; HL am = C10H12NO3, represents the first compound containing a salicyl-idene-2-ethano-lamine type ligand in both imino HL im (Schiff base) and amino HL am (reduced Schiff base) forms that has been structurally characterized on the basis of X-ray data. Two mol-ecules of the monodeprotonated ligands coordinate the CuII ion in an (N,O phen)-bidentate and an (N,O phen,O alc)-tridentate fashion in the case of the imino and amino forms, respectively. The shape of the CuN2O3 coordination polyhedron is a distorted square-pyramid (geometry index τ5 = 0.26). Inter-molecular N-H⋯O and O-H⋯O hydrogen bonds, involving H atoms of the amino and hy-droxy-ethyl groups, create a two-dimensional supra-molecular array extending parallel to (010).

A new adamantanecarboxylate coordination polymer: poly[[(mu3-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate].

The title compound, {[U(C(12)H(14)O(4))O(2)(H(2)O)] x H(2)O}(n), is the first actinide complex featuring adamantanecarboxylate ligands. The metal ion possesses a pentagonal-bipyramidal UO(7) coordination involving two axial oxide ligands [U-O = 1.732 (5) and 1.764 (5) A] and five equatorial O atoms [U-O = 2.259 (5)-2.494 (4) A] of aqua and carboxylate ligands. The latter display pseudo-chelating and bridging coordination modes of the carboxylate groups that are responsible for the generation of the centrosymmetric discrete uranium-carboxylate [UO(2)(mu-RCOO)(2)UO(2)] dimers [U...U = 5.5130 (5) A] and their connection into one-dimensional chains. Hydrogen bonding involving two coordinated and two solvent water molecules [O...O = 2.719 (7)-2.872 (7) A] yields centrosymmetric (H(2)O)(4) ensembles and provides noncovalent linkage between the coordination chains to generate a three-dimensional network structure.