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In the title coordination polymer, [Ag(C7H6NO2)(C6H12N4)(H2O)]n, the AgI ion is five-coordinated by two carboxylate O atoms from one 4-aminobenzoate anion (L), two N atoms from two different hexamethylenetetramine (hmt) ligands, and one water O atom in a distorted square-pyramidal geometry. The metal atom lies on a mirror plane and the L anion, hmt ligand and water molecule all lie across crystallographic mirror planes. Each hmt ligand bridges two neighboring AgI ions, resulting in the formation of a chain structure along the b axis. The chains are linked into a three-dimensional framework by N—H⋯O and O—H⋯O hydrogen bonds.
doi:10.1107/S1600536809055044
PMCID: PMC2979826
PMID: 21579600
The title compound, [Cu4(C7H6N2O3)4(H2O)4]·14H2O, a tetranuclear [2 × 2] grid-type complex with S4 symmetry, contains four CuII atoms which are bridged by four pyrazolecarboxylate ligand anions and are additionally bonded to a water molecule. Each CuII atom is coordinated by two O atoms of the carboxylate and acetyl groups, two pyrazole N atoms of doubly deprotonated 3-acetyl-4-methyl-1H-pyrazole-5-carboxylic acid and one O atom of a water molecule. The geometry at each CuII atom is distorted square-pyramidal, with the two N and two O atoms in the equatorial plane and O atoms in the axial positions. O—H⋯O hydrogen-bonding interactions additionally stabilize the structure. One of the uncoordinated water molecules shows half-occupancy.
doi:10.1107/S1600536811030832
PMCID: PMC3200935
PMID: 22058869
The asymmetric unit of the title complex, [Sn4(C4H9)8(C11H14NO2)4O2], consists of two crystallographically independent half-molecules. The other halves are generated by crystallographic inversion centers. In each tetranuclear molecule, both of the two independent Sn atoms are five-coordinated, with distorted trigonal–bipyramidal SnC2O3 geometries. One Sn atom is coordinated by two butyl groups, one O atom of the benzoate anion and two bridging O atoms, whereas the other Sn atom is coordinated by two butyl groups, two O atoms of the benzoate anions and a bridging O atom. All the butyl groups are equatorial with respect to the SnO3 trigonal plane. Weak intramolecular C—H⋯O hydrogen bonds stabilize the molecular structures. In one molecule, two of the butyl groups and the bridging benzoate anion are each disordered over two positions.
doi:10.1107/S1600536811025360
PMCID: PMC3212114
PMID: 22090816
The asymmetric unit of the title distannoxane, [Sn4(C4H9)8(C3H4N3S)2(CH3O)2O2], contains two molecules, each of which lies about an individual center of inversion. The tetranuclear molecule features a three-rung-staircase Sn4O4 core in which two independent SnIV atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance [Sn—N = 2.262 (3), 2.254 (3) Å] compared with the neutral N atom that binds to the central Sn atom[SnN = 2.617 (4); 2.830 (3) Å]. The oxide O atom is three-coordinate whereas the methanolate O atom is two-coordinate. The terminal Sn atom is five-coordinate in a cis-C3SnNO trigonal–bipyramidal environment, whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trapezoidal–bipyramidal geometry.
doi:10.1107/S1600536811001917
PMCID: PMC3051783
PMID: 21522898
The title distannoxane, [Sn4(CH3)8(C3H4N3S)2(CH3O)2O2], lies about a center of inversion; the tetranuclear molecule features a three-rung-staircase Sn4O4 core in which the two crystallographically independent SnIV atoms are bridged by the triazolide group. The negatively charged N atom of the triazolide group binds to the terminal Sn atom at a shorter distance [Sn—N = 2.239 (2) Å] compared with the neutral N atom that binds to the central Sn atom [Sn← N = 2.757 (3) Å]. The oxide O atom is three-coordinate whereas the methanolate O atom is two-coordinate. The terminal Sn atom is five-coordinate in a cis-C3SnNO trigonal–bipyramidal environment, whereas the central Sn atom is six-coordinate in a C2SnNO3 skew-trapezoidal–bipyramidal geometry.
doi:10.1107/S1600536811001905
PMCID: PMC3051439
PMID: 21522897
In the title complex, [Zn(C7H6NO2)2(C10H8N2)], the ZnII cation is coordinated by two aminobenzoate anions and one 2,2′-bipyridine ligand in a distorted trigonal–bipyramidal geometry. The carboxylate group of one aminobenzoate anion coordinates to the ZnII cation in a monodentate manner, whereas the carboxylate group of the other aminobenzoate anion chelates the Zn cation with different Zn—O bond lengths. Intermolecular N—H⋯N and N—H⋯O hydrogen bonding is present in the crystal structure.
doi:10.1107/S1600536811039389
PMCID: PMC3201216
PMID: 22058723
The title complex, [Cu2(C7H6NO2)2(C12H8N2)2(H2O)2]·2C7H7NO2·2H2O, consists of a dinuclear [Cu2(C7H6NO2)2(C12H8N2)2(H2O)2]2+ cation, two Cl− anions, two 4-aminobenzoic acid molecules and two disordered water molecules (site occupancy factors 0.5). The Cu(II) ion adopts a distorted square-pyramidal geometry formed by two N atoms from the 1,10-phenanthroline ligand and two O atoms of the two 4-aminobenzoic acid ligands and one water O atom. The Cu⋯Cu separation is 3.109 (2) Å. A twofold axis passes through the mid-point of the Cu⋯Cu vector.
doi:10.1107/S1600536808023647
PMCID: PMC2961994
PMID: 21203064
In the title centrosymmetric tetranuclear complex, [Mn4(C12H6O4)4(C10H8N2)4(H2O)8]·4H2O, two independent MnII ions are coordinated in a slightly disorted octahedral environment by two aqua ligands, two naphthalene-1,8-dicarboxylate (1,8-nap) ligands and one bis-chelating 2,2′-bipyridine (2,2′-bipy) ligand. In the crystal, molecules are linked by intermolecular O—H⋯O hydrogen bonds into chains along [100]. These chains are further linked by weak π–π interactions with centroid–centroid distances in the range of 3.609 (2)–3.758 (1) Å, forming a three-dimensional supramolecular network.
doi:10.1107/S1600536810049433
PMCID: PMC3011697
PMID: 21589355
The asymmetric unit of the title compound, [Li4(C5H3N2O2)4(H2O)4], contains two symmetry-independent LiI ions, two symmetry-independent ligands and two symmetry-independent coordinated water molecules. They form a dinuclear unit in which the two LiI ions are bridged by two carboxylate O atoms from the two ligands. Two dinuclear units related by an inversion centre form the tetrameric molecule. One of the LiI ions shows a distorted tetrahedral coordination geometry, the other a distorted trigonal–bipyramidal environment. The tetramers are held together by hydrogen bonds in which coordinated water molecules act as donors, and the carboxylate O atoms act as acceptors. A hydrogen bond between coordinated water molecule as donor and a ring N atom as acceptor is also observed.
doi:10.1107/S160053681203142X
PMCID: PMC3414128
PMID: 22904735
In the title compound, {[Cu(C7H6NO2)2(C11H16N4)]·3H2O}n, each CuII atom is coordinated by two O atoms from two 4-aminobenzoate anions, and two N atoms from two different 1,1′-(pentane-1,5-diyl)diimidazole (biim-5) ligands, to furnish a distorted square-planar geometry. The biim-5 ligand coordinates to two copper(II) cations, acting as a bridging ligand; as a result the copper(II) cations are connected to form an infinite chain structure. The polymeric chains are linked through a variety of hydrogen bonds to form a three-dimensional structure.
doi:10.1107/S1600536807064586
PMCID: PMC2915095
PMID: 21200507
The title molecule, [Zn2(C9H10NO2)4(C10H14N2O)2], is a centrosymmetric binuclear complex, with Zn atoms [Zn⋯Zn′ = 2.8927 (4) Å] bridged by four carboxylate groups from the dimethylaminobenzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn—O distance of 2.0416 (12) Å. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intramolecular C—H⋯O and intermolecular C—H⋯π interactions are present.
doi:10.1107/S1600536809047473
PMCID: PMC2971944
PMID: 21578613
The asymmetric unit of the title compound, (C6H9N2)4[V4O12]·4H2O, contains half of a [V4O12]4− anion, two 2-amino-4-methylpyridinium, (2a4mpH)+, cations and two water molecules. One water molecule is disordered over two sets of sites with equal occupancies and the H atoms for this molecule were not included in the refinement. The cation lies on an inversion center with four tetrahedral VO4 units each sharing two vertices, forming an eight-membered ring. In the crystal, the components are linked by intermolecular N—H⋯O hydrogen bonds, forming a one-dimensional network along [100]. Further stabilization is provided by weak intermolecular C—H⋯O hydrogen bonds. In addition, π–π stacking interactions with centroid–centroid distances of 3.5420 (18), 3.7577 (18) and 3.6311 (19) Å are observed.
doi:10.1107/S1600536811026912
PMCID: PMC3212164
PMID: 22090866
In the title complex, [Zn2(C8H4O4)(C20H11N4O2)2]·4H2O, the ZnII atom is six-coordinated by two carboxylate O atoms from one bidentate benzene-1,4-dicarboxylate (1,4-BDC) ligand, two carboxylate O atoms from two different monodentate 4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)benzoate (HNCP) ligands and two HNCP N atoms. The ZnII atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N—H⋯O hydrogen-bonding interactions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supramolecular structure.
doi:10.1107/S1600536811040062
PMCID: PMC3246926
PMID: 22219746
The PbII atom in the title compound, {[Pb2(C7H6NO2)4]}n, is chelated by two 3-aminobenzoato ligands in a distorted pentagonal-bipyramidal coordination geometry with five oxygen donors in the equatorial positions, one nitrogen donor and one oxygen donor in the axial positions. Two molecules are linked through a centre of inversion, forming a dinuclear entity. These entities are linked in a μ3-bridging mode through the amino N atom and two carboxylate O atoms into a chain along the b axis. Classical intermolecular N—H⋯O hydrogen bonding is observed in the structure. The supramolecular structure is consolidated by π–π stacking interactions with centroid–centroid distances between benzene rings of 3.837 (8) Å.
doi:10.1107/S1600536810041322
PMCID: PMC3009093
PMID: 21588853
In the title compound, {[Ca3Eu2(C7H3NO4)6(H2O)12]·10.5H2O}n, the EuIII ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxylate (PDA) ligands, forming a [Eu(PDA)3]3− building block. The Ca2+ ions adopt two types of coordination geometries. One Ca2+ ion, lying on a twofold rotation axis, is eight-coordinated by four carboxylate O atoms from four PDA ligands and four water molecules, and the other two Ca2+ ions, each lying on an inversion center, are six-coordinated by two carboxylate O atoms from two PDA ligands and four water molecules. The carboxylate groups bridge the EuIII and Ca2+ ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water molecules are located. Two of the lattice water molecules are disordered over two sets of sites with equal occupancy and one water molecule is 0.25-occupied. Numerous O—H⋯O hydrogen bonds involving the water molecules and carboxylate O atoms are present.
doi:10.1107/S1600536812018028
PMCID: PMC3344405
PMID: 22590167
The title tetranuclear SnIV complex, [Sn4(C4H9)8(C10H6NO2)4O2], is a cluster built up by inversion symmetry around the central Sn2O2 ring. The coordination geometries of the Sn atoms involved can be classified into two types: the five-coordinate Sn atoms of the central Sn2O2 core have a trigonal–bipyramidal geometry, with axial positions occupied by a μ3-O atom and a μ2-O atom belonging to the nonchelating quinaldate ligand. The peripheral Sn atoms are six-coordinate, with a distorted octahedral geometry. The methyl group of an n-butyl ligand is disordered over two sites, with occupancies of 0.643 (12) and 0.357 (12).
doi:10.1107/S1600536807066378
PMCID: PMC2915128
PMID: 21200544
The asymmetric unit of the title compound, [Cu2Tb(C7H3NO4)3(C12H8N2)4]NO3·4H2O, consists of one-half of the C
2-symmetric trinuclear coordination cation, one-half of the C
2-symmetric nitrate anion and two water molecules. In the coordination cation, the CuII atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging–chelating carboxylate group of the pyridine-2,6-dicarboxylate anion, completing a distorted N4O2 octahedral coordination environment. The TbIII atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxylate anions forming an N3O6 donor set. The intramolecular Cu⋯Tb distance of 5.0592 (11) Å indicates weak interactions between the CuII and TbIII atoms. The coordination cations, nitrate anions and water molecules are connected via O—H⋯O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive π–π stacking interactions [centroid–centroid distances = 4.332 (7) and 3.878 (5) Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxylate ligands.
doi:10.1107/S1600536812031686
PMCID: PMC3414140
PMID: 22904747
In the title dinuclear complex, [Tb2(C8H7O3)6(C12H8N2)2], each TbIII ion is eight-coordinated by two N atoms from a 1,10-phenanthroline ligand and six O atoms from the carboxylate groups of five 4-methoxybenzoate ligands in a distorted square-antiprismatic geometry. All six 4-methoxybenzoate 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, intermolecular π–π interactions between the aromatic rings of 1,10-phenanthroline and 4-methoxybenzoate ligands [centroid–centroid distance = 3.742 (9) Å] link two molecules into a centrosymmetric dimer. Weak intermolecular C—H⋯O hydrogen bonds help to consolidate the crystal packing.
doi:10.1107/S1600536809037751
PMCID: PMC2970326
PMID: 21577758
In the centrosymmetric binuclear title complex, [Cu2(C7H4IO2)4(H2O)2], the two CuII ions [Cu⋯Cu = 2.6009 (5) Å] are bridged by four 2-iodobenzoate (IB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the O atom of the water molecule at a distance of 2.1525 (16) Å. The dihedral angle between the benzene ring and the carboxylate group is 25.67 (13)° in one of the independent IB ligands and 6.44 (11)° in the other. The benzene rings of the two independent IB ligands are oriented at a dihedral angle of 86.61 (7)°. In the crystal, O—H⋯O interactions link the molecules into a two-dimensional network. π–π contacts between the benzene rings [centroid–centroid distances = 3.810 (2) and 3.838 (2) Å] may further stabilize the structure.
doi:10.1107/S1600536812010367
PMCID: PMC3343818
PMID: 22589792
The complex molecule of the title compound, [Cu2Fe4(C5H5)4(C6H4O2)4(CH3OH)2]·2CH3OH, lies about an inversion centre and contains two centrosymetrically related CuII atoms bridged by four O:O′-bidentante ferrocenecarboxylate anions, leading to a dimeric tetrabridged unit with a paddle-wheel geometry. The CuII atom has a distorted square-pyramidal coordination environment with four O atoms from four ferrocenecarboxylate ligands in basal positions and an O atom from a methanol molecule in an apical position. One of the two crystallographically independent ferrocenyl groups has a staggered conformation, while the other is eclipsed. The molecules are connected into a chain along the b axis by O—H⋯O hydrogen bonds involving coordinated and uncoordinated methanol molecules and the O atom from a ferrocenecarboxylate unit.
doi:10.1107/S1600536811050185
PMCID: PMC3238738
PMID: 22199615
The title tetranuclear complex molecule, [Sn4(C7H7)8(C2H2ClO2)4O2], has crystallographically imposed inversion symmetry. Each Sn atom has a distorted trigonal–bipyramidal geometry, with the equatorial plane formed by an oxido O atom and two C atoms of two benzyl anions. The configuration of the complex is stabilized by a pair of C—H⋯O hydrogen bonds. In the crystal, complex molecules are linked into zigzag chains along [110] by C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810054000
PMCID: PMC3051761
PMID: 21522831
In the centrosymmetric tetranuclear title compound, [Sn4(C4H9)8(C7H5O3)4O2], one of the two independent Sn atoms is five-coordinate in a cis-C2SnO3 trigonal-bipyramidal geometry [C—Sn—C = 142.7 (1)°]; the geometry is distorted owing to a long Sn⋯O(double bond) interaction [Sn⋯O = 2.862 (1) Å]. The other Sn atom has a bent R
2Sn skeleton [C—Sn—C = 144.0 (1)°], but the geometry is best regarded as being a trans-C2SnO4 octahedron as the Sn–O(single bond) interaction is shorter [Sn—O = 2.674 (1) Å].
doi:10.1107/S1600536808023787
PMCID: PMC2962005
PMID: 21203075
23.
(2-Aminobenzoato-κ2
O,O′)(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4
N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate
In the title salt, [Ni(C7H6NO2)(C16H36N4)]ClO4·H2O, the NiII cation is O,O′-chelated by the benzoate anion and N,N′,N′′,N′′′-chelated by the macrocycle ligand, confering a distorted octahedral geometry on the metal atom. The complex cations, perchlorate anions and uncoordinated water molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds into a three-dimensional network. The perchlorate ion is disordered over two positions in a 0.554 (8):0.446 (8) ratio.
doi:10.1107/S1600536810037116
PMCID: PMC2983378
PMID: 21587435
The title molecule, [Zn2(C8H8NO2)4(C10H14N2O)2]·2H2O, is a centrosymmetric binuclear complex, with two ZnII ions [Zn⋯Zn’ = 2.9301 (4) Å] bridged by four methylaminobenzoate (MAB) ligands. The four nearest O atoms around each ZnII ion form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the N,N-diethylnicotinamide (DENA) ligand. Each ZnII ion is displaced by 0.3519 (2) Å from the plane of the four O atoms, with an average Zn—O distance of 2.030 Å. The dihedral angles between carboxylate groups and adjacent benzene rings are 10.57 (10) and 16.63 (12)°, while the benzene rings are oriented at a dihedral angle of 81.84 (5)°. The pyridine ring is oriented at dihedral angles of 40.49 (6) and 51.25 (6)° with respect to the benzene rings. In the crystal structure, intermolecular O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a three-dimensional network. The π–π contact between the inversion-related pyridine rings [centroid–centroid distance = 3.633 (1) Å] may further stabilize the crystal structure.
doi:10.1107/S1600536809040409
PMCID: PMC2971338
PMID: 21578088
In the centrosymmetric dinuclear title compound, [Tb2(C7H3F2O2)6(C10H8N2)2], the TbIII ion is coordinated by an N,N′-bidentate 2,2′-bipyridine molecule, and two O,O′-bidentate 2,4-difluorobenzoate (dfb) anions. One of the latter also bonds to the second TbIII 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 TbN2O7 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.
doi:10.1107/S1600536808043936
PMCID: PMC2968370
PMID: 21581763