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In the title compound, 3-[(4-amino-2-methyl-5-pyrimidin-1-io)methyl]-5-(2-hydroxy­ethyl)-4-methyl­thia­zolium(2+) bis(tetra­fluoro­borate), C12H18N4OS2+·2BF4−, the divalent thia­mine cation (in the F conformation) is associated with BF4− anions via two characteristic bridging interactions between the thia­zolium and pyrimidinium rings, i.e. C-H⃛BF4−⃛pyrimidinium and N-H⃛BF4−⃛thia­zolium interactions. Thi­amine mol­ecules are linked by N-H⃛O hydrogen bonds to form a helical chain structure. [ABSTRACT FROM AUTHOR]

Abstract: In this paper, four new luminescent silver(I) sulfonate complexes with PPh3, namely Ag(L1)(PPh3)2 (1), Ag(L2)(PPh3)3 (2), [Ag2(L3)(PPh3)4(H2O)]·1.5CH3CN·0.5H2O (3) and [Ag4(L4)(PPh3)10]·8H2O (4), where L1=p-toluenesulfonate, L2=1-naphthalenesulfonate, L3=3-carboxylate-4-hydroxybenzenesulfonate, L4=1, 3, 6, 8-pyrenetetrasulfonate and PPh3=triphenylphosphine, have been synthesized and characterized. The crystal structures were determined by single-crystal X-ray diffraction method. Compounds 1, 2, 3 and 4 adopt discrete structures rather than polymeric structures. Compounds 1 and 2 show mononuclear structures while 3 and 4 are dinuclear and tetranuclear molecules, respectively. Moreover the numbers of PPh3 molecules coordinating to one silver center are two or three. The photoluminescent properties of 1, 2 and 3 are discussed. [Copyright &y& Elsevier]

Abstract: A series of titanium complexes Cp*TiCl(OCHRCH2NAr) (Cp* =C5Me5, R=H, Ar=phenyl (2a); R=H, Ar=2,6-dimethylphenyl (2b); R=Me, Ar=phenyl (2c); R=Me, Ar=2,6-dimethylphenyl (2d)) was prepared by the reaction of corresponding 2-phenylamino-ethanol derivatives with Cp*TiCl3 in the presence of excessive triethylamine. All the titanium complexes display higher catalytic activity towards the syndiospecific polymerization of styrene in the presence of modified methylaluminoxane (MMAO) as a cocatalyst, yielding higher molecular weight polystyrenes with higher syndiotacticities and melting temperatures (T m) than their mother complex Cp*TiCl3. When 2-(2,6-diisopropyl-phenylamino)-ethanol was reacted with Cp*TiCl3, an unexpected monodentate complex Cp*TiCl2(OCH2CH2NHC6H3 i Pr2-2,6) 3 was obtained. The complex 3 displays relative low catalytic activity towards styrene polymerization, but produces higher molecular weight polystyrene with higher syndiotacticities. [Copyright &y& Elsevier]

The synthesis, structural characterization and preliminary magnetic studies of a novel coordination polymer with paddlewheel Co3 clusters are reported firstly. In the polymer, Co3 clusters are covalently linked through PO4 tetrahedra and 4-pyridinecarboxylate (4-pya) ligands into interpenetrated three-dimensional network. [Copyright &y& Elsevier]

The crystal structure of the title compound, C14H17ClN2OS2, is stabilized by inter­molecular N—H⋯S hydrogen bonds and π–π stacking inter­actions. [ABSTRACT FROM AUTHOR]

The title compound, {[Mn2(CH3CO2)4(C10H8N2)2]·H2O} n, is a one-dimensional coordination polymer with a ladder-like structure. Two MnII atoms, each coordinated by a chelating acetate ligand, are bridged by two bidentate acetate ligands to form a centrosymmetric [Mn2(CH3CO2)4] unit. Two 4,4′-bipyridine ligands link the [Mn2(CH3CO2)4] units through Mn—N bonds to generate a mol­ecular ladder. The water O atom lies on a crystallographic twofold rotation axis. [ABSTRACT FROM AUTHOR]

Structural information on the interaction between lead ion and its targeting biological substances is important not only for enriching coordination chemistry of lead but for successfully treating lead poisoning that is a present-day problem. This chapter provides structural data, mainly metal binding sites/modes, observed in crystal structures of lead complexes with biorelevant molecules, obtained from the Cambridge Structural Database (the CSD version 5.36 updated to May 2015) and the Protein Data Bank (PDB updated to February 2016). Ligands include (i) amino acids and small peptides, (ii) proteins, (iii) nucleic acid constituents, (iv) nucleic acids, (v) simple saccharides, and (vi) other biorelevant molecules involving lead-detoxification agents. For representative complexes of these ligands, some details on the environment of the metal coordination and structural characteristics are described.

The asymmetric unit of the title polymeric complex, [Cd(2)(C(13)H(7)NO(4))(OH)(2)](n), consists of two independent Cd(II) atoms, one 5-(4-carb-oxy-phen-yl)pyridine-2-carboxyl-ate ligand and two hy-droxy groups. One Cd(II) atom is six-coordinated by two O atoms from two ligand mol-ecules and by four μ(3)-OH groups in a distorted trigonal-prismatic geometry. The other is five-coordinated by one N and two O atoms from two ligands and by two μ(3)-OH groups, forming a distorted square-pyramidal geometry. The two independent Cd(II) atoms are connected by the ligand mol-ecules and the OH groups into a three-dimensional framework. O-H⋯O hydrogen bonds between the OH groups and the carboxyl-ate O atoms are observed.

In the title compound, {[Zn(2)(C(6)H(14)N(2)O(2))(2)(C(10)H(8)N(2))(3)](NO(3))(4)·0.6H(2)O·2C(3)H(7)NO}(n), the Zn(II) ion is six-coordinated with a distorted octa-hedral geometry by two carboxyl-ate O atoms and one amino N atom from two l-lysinate (l-lys) ligands, and three N atoms from three 4,4'-bipyridine (4,4'-bipy) ligands. The Zn(II) ions are connected by the carboxyl-ate groups of the l-lys ligands in the a-axis direction and the bridging 4,4'-bipy ligands in the b- and c-axis directions, forming a three-dimensional cationic framework with channels along [100]. The nitrate anions and solvent water and dimethyl-formamide (DMF) mol-ecules are located in the channels and linked to the cationic framework by N-H⋯O and O-H⋯O hydrogen bonds. The occupancy of the water mol-ecule was fixed at 0.6. One of the DMF mol-ecules is disordered over two sets of sites, with an occupancy ratio of 0.632:0.368 (11).

In the title compound, {[Zn(C(9)H(10)NO(3))(C(10)H(8)N(2))(2)(H(2)O)]NO(3)·2H(2)O}(n), the Zn(II) atom is six-coordinated in a distorted octa-hedral geometry by two carboxyl-ate O atoms and one amino N atom from two l-tyrosinate ligands, two N atoms from two 4,4'-bipyridine ligands, and one water mol-ecule. Adjacent Zn atoms are bridged by the bidentate carboxyl-ate groups into a cationic chain extending along [010]. N-H⋯N, O-H⋯N and O-H⋯O hydrogen bonds link the cationic chains, nitrate anions and uncoordinated water mol-ecules into a supra-molecular network. π-π inter-actions between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.615 (4) and 3.636 (4) Å] are present.

The title mixed-metal complex, {(NH(4))(2)[Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)][CdCu(C(7)H(3)NO(4))(2)(H(2)O)(6)]·6H(2)O}(n), contains one octa-hedrally coordinated Cd(II) center and two octa-hedrally coordinated Cu(II) centers, each lying on an inversion center. The two Cu(II) atoms are each coordinated by two O atoms and two N atoms from two 2,4-pydc (2,4-H(2)pydc = pyridine-2,4-dicarboxylic acid) ligands in the equatorial plane and two water mol-ecules at the axial sites, thus producing two crystallographically independent [Cu(2,4-pydc)(2)(H(2)O)(2)](2-) metalloligands. One metalloligand exists as a discrete anion and the other connects the Cd(H(2)O)(4) units, forming a neutral chain. O-H⋯O and N-H⋯O hydrogen bonds connects the polymeric chains, complex anions, ammonium cations and uncoordinated water mol-ecules into a three-dimensional supra-molecular network.

The title compound, [Cu(C(5)H(3)N(2)O(2))(2)(H(2)O)(2)], is a new polymorph of the previously reported compound [Klein et al. (1982 ▶). Inorg. Chem.21, 1891-1897]. The Cu(II) atom, lying on an inversion center, is coordinated by two N atoms and two O atoms from two pyrazine-2-carboxyl-ate ligands and by two water mol-ecules in a distorted octa-hedral geometry with the water mol-ecules occupying the axial sites. Inter-molecular O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds connect the complex mol-ecules into a two-dimensional layer parallel to (10), whereas the previously reported polymorph exhibits a three-dimensional hydrogen-bonded network.

In the mixed-metal complex catena-poly[bis[diaquasilver(I)] [bis[aquacopper(II)]-mu(3)-pyridine-2,5-dicarboxylato-2':1:1'kappa(5)N,O(2):O(5):O(5),O(5')-mu-pyridine-2,5-dicarboxylato-2:1kappa(4)N,O(2):O(5),O(5')-disilver(I)-mu(3)-pyridine-2,5-dicarboxylato-1:1':2''kappa(5)O(5),O(5'):O(5):N,O(2)-mu-pyridine-2,5-dicarboxylato-1':2'''kappa(4)O(5),O(5'):N,O(2)] hexahydrate], {[Ag(H(2)O)(2)][AgCu(C(7)H(3)NO(4))(2)(H(2)O)].3H(2)O}(n), a square-pyramidal Cu(II) center is coordinated by two N atoms and two O atoms from two pyridine-2,5-dicarboxylate (2,5-pydc) ligands and a water molecule, forming a [Cu(2,5-pydc)(2)(H(2)O)](2-) metalloligand. One Ag(I) center is coordinated by five O atoms from three 2,5-pydc ligands and, as a result, the [Cu(2,5-pydc)(2)(H(2)O)](2-) metalloligands act as linkers in a unique mu(3)-mode connecting Ag(I) centers into a one-dimensional anionic double chain along the [101] direction. The other Ag(I) center is coordinated by two water molecules, forming an [Ag(H(2)O)(2)](+) cation. Four adjacent Ag(I) centers are associated by Ag...Ag interactions [3.126 (1) and 3.118 (1) A], producing a Z-shaped Ag(4) unit along the [010] direction and connecting the anionic chains into a two-dimensional layer structure. This study offers information for engineering mixed-metal complexes based on copper(II)-pyridinedicarboxylate metalloligands.

The title compound, [Cu(2)(C(9)H(10)NO(3))(2)(NO(3))(2)(C(10)H(8)N(2))(H(2)O)(2)](n), contains Cu(II) atoms and L-tyrosinate (L-tyr) and 4,4'-bipyridine (4,4'-bipy) ligands in a 2:2:1 ratio. Each Cu atom is coordinated by one amino N atom and two carboxylate O atoms from two L-tyr ligands, one N atom from a 4,4'-bipy ligand, a monodentate nitrate ion and a water molecule in an elongated octahedral geometry. Adjacent Cu atoms are bridged by the bidentate carboxylate groups into a chain. These chains are further linked by the bridging 4,4'-bipy ligands, forming an undulated chiral two-dimensional sheet. O-H...O and N-H...O hydrogen bonds connect the sheets in the [100] direction. This study offers useful information for the engineering of chiral coordination polymers with amino acids and 4,4'-bipy ligands by considering the ratios of the metal ion and organic components.

By introducing the flexible 1,1'-(1,4-butanediyl)bis(imidazole) (bbi) ligand into the polyoxovanadate system, five novel polyoxoanion-templated architectures based on [As(8)V(14)O(42)](4-) and [V(16)O(38)Cl](6-) building blocks were obtained: [M(bbi)(2)](2)[As(8)V(14)O(42)(H(2)O)] [M = Co (1), Ni (2), and Zn (3)], [Cu(bbi)](4)[As(8)V(14)O(42)(H(2)O)] (4), and [Cu(bbi)](6)[V(16)O(38)Cl] (5). Compounds 1-3 are isostructural, and they exhibit a binodal (4,6)-connected 2D structure with Schläfli symbol (3(4) x 4(2))(3(4) x 4(4) x 5(4) x 6(3))(2), in which the polyoxoanion induces a closed four-membered circuit of M(4)(bbi)(4). Compound 4 exhibits an interesting 3D framework constructed from tetradentate [As(8)V(14)O(42)](4-) cluster anions and cationic ladderlike double chains. There exists a bigger M(8)(bbi)(6)O(2) circuit in 4. The 3D extended structure of 5 is composed of heptadentate [V(16)O(38)Cl](6-) anions and flexural cationic chains; the latter consists of six Cu(bbi) segments arranged alternately. It presents the largest 24-membered circuit of M(24)(bbi)(24) so far observed made of bbi molecules and transition-metal cations. Investigation of their structural relations shows the important template role of the polyoxoanions and the synergetic interactions among the polyoxoanions, transition-metal ions, and flexible ligand in the assembly process. The magnetic properties of compounds 1-3 were also studied.

The structure of the title compound, [Co(C(12)H(8)N(2))(H(2)O)(4)](NO(3))(2), consists of tetraaqua(1,10-phenanthroline)cobalt(II) cations and nitrate anions. The Co atom is located on a twofold rotation axis and is coordinated by the two N atoms of a 1,10-phenanthroline ligand and four O atoms of water molecules. The cations and anions are linked by hydrogen-bond interactions into a three-dimensional supramolecular network.

The structure of the title compound, [Cu2Cl2(C12H10N2)](n), contains infinite CuCl staircase-like chains, which lie about inversion centres. The trans-1,2-di-4-pyridylethylene molecules also lie about inversion centres and connect the CuCl chains through Cu-N coordination bonds into a two-dimensional organic-inorganic hybrid network. The planar sheets are stacked along the c axis and associated through weak C-H...Cl interactions. The results show a reliable structural motif with controllable separation of the CuCl chains by variation of the length of the ligand.

A new polynuclear titanium(IV) complex, dichlorodeca-mu2-oxo-hexakis(pentamethylcyclopentadienyl)hexatitanium(IV), [Ti6(C10H15)6Cl2O10], has been synthesized by hydrolysis of a titanium complex bearing an N-(2-hydroxy-3,5-dimethylbenzyl)diethanolamine Mannich ligand. The molecule has two O-bridged Ti3O3 rings linked to two similar rings through a tetrahedrally O-coordinated Ti atom. All Ti atoms except the central one are coordinated to pentamethylcyclopentadienyl (Cp*) ligands. The Cp* ligands are arranged with approximate symmetry with respect to the Ti/O/Cl core.

The title bimetallic compound, [Yb4(mu3-OH)4(C6H13NO2)7(H2O)7][ZnCl4][ZnCl3(OH)]Cl4.8H2O, was synthesized at near physiological pH (6.0). The compound exhibits some novel structural features, including an asymmetric [Yb4(mu3-OH)4(L-leucine)7(H2O)7]8+ complex cation in which four OH groups act as bridging ligands, linking four Yb3+ cations into a Yb4O4 structural unit. Each pair of adjacent Yb3+ ions is further bridged by one carboxy group from a leucine ligand. Water molecules and a monodentate leucine ligand also coordinate to Yb3+ ions, completing their eight-coordinate square-antiprismatic coordination. The Yb4(mu3-OH)4(L-leucine)7(H2O)7]8+ cation, the [ZnCl4]2-, [ZnCl3OH]2- and Cl- anions, and the lattice water molecules are linked via hydrogen bonds.

In the crystal structure of the title compound, (NH(4))[AsO(2)(OH)(C(6)H(4)NO(2))], the 4-nitrophenylarsonate anions and ammonium cations are linked through hydrogen bonds to form infinite chains along the b axis. The hydroxyl O atom of the 4-nitrophenylarsonate anion acts as both an acceptor and a donor of hydrogen bonds. All atoms are located in general positions.