PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (586411)

Clipboard (0)
None

Related Articles

1.  Poly[μ-aqua-diaqua­(μ2-pyrazine-2,3-dicarboxyl­ato)dilithium(I)] 
The asymmetric unit of the title compound, [Li2(C6H2N2O4)(H2O)3]n, consists of two independent Li+ cations, one pyrazine-2,3-dicarboxyl­ate dianion and three water mol­ecules. One of the Li+ cations has a distorted tetra­hedral geometry, coordinated by one of the carboxyl­ate O atoms of the pyrazine-2,3-dicarboxyl­ate ligand and three O atoms from three water mol­ecules, whereas the other Li+ cation has a distorted trigonal-bipyramidal geometry, coordinated by a carboxyl­ate O atom of a symmetry-related pyrazine-2,3-dicarboxyl­ate ligand, two water mol­ecules and a chelating pyrazine-2,3-dicarboxyl­ate ligand (by utilizing both N and O atoms) of an adjacent mol­ecule. The synthesis of a hydrated polymeric dinuclear lithium complex formed with two pyrazine-2,3-dicarboxylic acid ligands has been reported previously [Tombul et al. (2008a ▶). Acta Cryst. E64, m491–m492]. By comparision to the complex reported here, the dinuclear complex formed with two pyrazine-2,3-dicarboxylic acid ligands differs in the coordination geometry of both Li atoms. The crystal structure further features O—H⋯O and O—H⋯N hydrogen-bonding inter­actions involving the water mol­ecules and carboxyl­ate O atoms.
doi:10.1107/S1600536809050570
PMCID: PMC2971803  PMID: 21578706
2.  Poly[di-μ-aqua-μ4-(pyrazine-2,5-dicarboxyl­ato)-dilithium(I)] 
In the title coordination polymer, [Li2(C6H2N2O2)(H2O)2]n the pyrazine-2,5-dicarboxyl­ate dianionic ligand bridges two symmetry-independent Li+ ions using both its N,O-chelating sites. The carboxyl­ate O atom of one of them also bridges to another Li+ ion, while the second O atom of this group is bonded to another Li+ ion. Two symmetry-independent water O atoms participate also in the bridging system, which gives rise to a polymeric three-dimensional framework. Both Li+ ions show distorted trigonal–bipyramidal LiNO4 coordination geometries, with the N atom in an axial site in both cases. The packing is consolidated by O—H⋯O hydrogen bonds, which occur between water mol­ecules as donors and carboxyl­ate O atoms as acceptors.
doi:10.1107/S1600536810050762
PMCID: PMC3050281  PMID: 21522570
3.  Tetra­aqua­tetra­kis{μ3-3,3′-[(E,E)-ethane-1,2-diylbis(nitrilo­methyl­idyne)]benzene-1,2-diolato}octa­zinc(II) N,N-dimethyl­formamide hexa­solvate 
The asymmetric unit of the title compound [Zn8(C16H12N2O4)4(H2O)4]·6C3H7NO, consists of eight ZnII cations, four tetra­valent anionic ligands, L 4− (L 4− = 3,3′-(1E,1′E)-(ethane-1,2-diylbis(azan-1-yl-1-yl­idene))bis­(methan-1-yl-1-yl­idene)dibenzene-1,2-bis­(olate), four coordinated water mol­ecules and six N,N-dimethyl­formamide solvate mol­ecules. The coordination complex comprises an octa­nuclear ZnII unit with its ZnII centers coordinated in two discrete distorted square-pyramidal geometries. Four ZnII atoms each coordinate to two nitro­gen atoms and two phenolate oxygen atoms from an individual L 4− ligand and one coordinated water mol­ecule. The other four ZnII atoms each bind to five phenolate oxygen atoms from three different L 4− ligands. In the crystal structure, the ZnII complex unit, coordinated water mol­ecules and dimethyl­formamide solvate mol­ecules are linked via O—H⋯O and C—H⋯O hydrogen bonds. Mol­ecules are connected by additional inter­molecular O—H⋯O and C—H⋯O hydrogen bonds, forming an extensive three dimensional framework.
doi:10.1107/S1600536809046923
PMCID: PMC2972079  PMID: 21578596
4.  catena-Poly[[di­aqua­bis­(μ3-5-carboxyl­ato-1H-pyrazole-3-carb­oxy­lic acid-κ3 O 3:O 3;O 5)dilithium(I)] monohydrate] 
The basic structural unit of the title polymeric ribbon, {[Li2(C5H3N2O2)2(H2O)2]·H2O}n, is a centrosymmetric dinuclear complex in which the two LiI ions are bridged by two carboxyl­ato O atoms, to generate a centrosymmetric Li2O2 core. These are connected into a chain along [01-1] by carboxylic acid–carbonyl-O bonds. The tetra­hedral coordination of the LiI cation is completed by an aqua ligand. The carboxylic acid is involved in an intra-ribbon hydrogen bond. A solvate water molecule showing positional (50:50) disorder is observed. Polymeric ribbons along [01-1] are connected by O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional architecture.
doi:10.1107/S1600536813026408
PMCID: PMC3884253  PMID: 24454029
5.  Poly[[tetra­aqua-μ4-fumarato-di-μ3-fumarato-dineodymium(III)] trihydrate] 
The title coordination polymer, {[Nd2(C4H2O4)3(H2O)4]·3H2O}, was synthesized by the reaction of neodymium(III) nitrate hexa­hydrate with fumaric acid in a water–methanol (7:3) solution. The asymmetric unit comprises two Nd3+ cations, three fumarate dianions (L 2−), four aqua ligands and three uncoordinated water mol­ecules. The carboxyl­ate groups of the fumarate dianions exhibit different coordination modes. In one fumarate dianion, two carboxyl­ate groups chelate two Nd3+ cations, while one of the O atoms is coordinated to another Nd3+ cation. Another fumarate dianion bridges three Nd3+ cations: one of the carboxyl­ate groups chelates one Nd3+ cation, while the other carboxyl­ate group bridges two Nd3+ cations in a monodentate mode. The third fumarate dianion bridges four Nd3+ cations, where one of the carboxyl­ate groups chelates one Nd3+ cation and coordinates in a monodentate mode to a second Nd3+, while the second carboxyl­ate groups bridges two Nd3+ cations in a monodentate mode and one O atom is coordinated to one Nd3+ cation. The Nd3+ cations are in a distorted tricapped–trigonal prismatic environment and coordinated by seven O atoms from the fumarate ligands and two O atoms from water mol­ecules. The Nd3+ cations are linked by two carboxyl­ate O atoms and two carboxyl­ate groups, generating infinite Nd–O chains to form a three-dimensional framework. There are O—H⋯O and C—H⋯O hydrogen-bonding interactions between the coordin­ated and uncoordinated water mol­ecules and carboxyl­ate O atoms.
doi:10.1107/S1600536811046447
PMCID: PMC3238635  PMID: 22199526
6.  catena-Poly[[[aqua­(5-nitro­benzene-1,2,3-tricarboxyl­ato-κO 1)nickel(II)]-di-μ-aqua-[diaqua­sodium]-di-μ-aqua] tetra­hydrate] 
In the title complex, {[NaNi(C9H2NO8)(H2O)7]·4H2O}n, the NiII atom has a distorted octa­hedral coordination, defined by five O atoms from five water mol­ecules and one O atom from one 5-nitro­benzene-1,2,3-tricarboxyl­ate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water mol­ecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connected by strong O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water mol­ecules into a three-dimensional network.
doi:10.1107/S1600536810006872
PMCID: PMC2983560  PMID: 21580274
7.  catena-Poly[[[aqua­(5-nitro­benzene-1,2,3-tricarboxyl­ato-κO 1)copper(II)]-di-μ-aqua-[diaqua­sodium]-di-μ-aqua] tetra­hydrate] 
In the heteronuclear coordination polymer, {[CuNa(C9H2NO8)(H2O)7]·4H2O}n, the CuII atom is coordinated by six O atoms from five water mol­ecules and one 5-nitro­benzene-1,2,3-tricarboxyl­ate ligand in a slightly distorted octa­hedral geometry. The Na+ cation is surrounded by six water mol­ecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water mol­ecules connect the chains into a three-dimensional network.
doi:10.1107/S1600536810000401
PMCID: PMC2979819  PMID: 21579616
8.  A novel double-chain silver(I) coordination polymer: catena-poly[[[μ-aqua-aqua­disilver(I)]-bis­(μ3-5-methyl­pyrazine-2-carboxyl­ato)] dihydrate] 
In the title silver(I) coordination polymer, {[Ag2(C6H5N2O2)2(H2O)2]·2H2O}n, the [Ag2(μ2-H2O)(H2O)] cores are extended by anti­parallel 5-methyl­pyrazine-2-carboxyl­ate (L) ligands, forming a novel double-chain structure. Both Ag+ cations show a distorted square-pyramidal coordination. Ag1 is bonded to two water molecules, one L N atom, one N atom and one carboxylate O atom from a neighbouring L, whereas Ag2 is surrounded by two L N atoms, two L carboxylate O atoms and one bridging water molecule. O—H⋯O hydrogen-bonding inter­actions involving water clusters and carboxyl­ate O atoms link the mol­ecules into a three-dimensional supra­molecular architecture, which is further consolidated by weak C—H⋯O inter­actions and π–π stacking inter­actions [centroid–centroid distance 3.643 (5) Å].
doi:10.1107/S160053680802984X
PMCID: PMC2959376  PMID: 21201049
9.  Poly[μ3-β-alanine-aqua-μ4-sulfato-dilithium] 
The title compound, [Li2(SO4)(C3H7NO2)(H2O)]n, is a coordination polymer in which the β-alanine residues remain in the zwitterionic form. The crystal structure consists of corrugated sheets of [LiO4] and [SO4] tetra­hedra parallel to (010) with the β-alanine mol­ecules located between the sheets. The two independent Li+ cations are four-coordinated by O atoms in a distorted tetra­hedral geometry. The crystal structure is formed by stacking of alternate organic and inorganic layers along the a axis. The crystal structure is further stabilized by N—H⋯O hydrogen bonds.
doi:10.1107/S1600536812002115
PMCID: PMC3274924  PMID: 22346871
10.  Tetra­aqua­(2,2′-bipyridine-5,5′-dicarboxyl­ato-κ2 N,N′)nickel(II) dihydrate 
In the title compound, [Ni(C12H6N2O4)(H2O)4]·2H2O, obtained from a basic solution of 2,2′-bipyridine-5,5′-dicarboxyl­ate and nickel(II) chloride in water, the central Ni(II) cation (site symmetry 2) is coordinated by two N atoms from the 2,2′-bipyridine-5,5′-dicarboxyl­ate ligand and four aqua O atoms. The N—Ni—N angle is 78.64 (8)°. Weak but significant π–π stacking inter­actions exist between the pyridine rings with a centroid–centroid distance of 3.652 (8) Å. In addition, four O atoms of the two carboxyl groups form hydrogen bonds with both coordinated and uncoordinated water mol­ecules, forming an infinite three-dimensional network.
doi:10.1107/S1600536809035910
PMCID: PMC2970486  PMID: 21577733
11.  Diacetonitrile­tetra­kis{μ2-3-anilinocarbonyl-1-[(5-chloro-2-oxidophen­yl)diazen­yl]-2-naphtholato}tetra­aqua­diiron(III)disodium(I) dihydrate 
The title compound, [Fe2Na2(C23H14ClN3O3)4(C2H3N)2(H2O)4]·2H2O, is a hydrated Fe–azo complex dimer that is used as a charge-control agent in electrophotography. The mol­ecule is a centrosymmetric dimer with two octa­hedral FeIII units linked by two bridging five-coordinate NaI cations. Each FeIII atom is chelated by the N and two O atoms from two 3-anilinocarbonyl-1-[(5-chloro-2-oxidophen­yl)diazen­yl]-2-naph­tholate ligands. The Na+ cation is coordinated by a carbonyl O atom from the two ligands of each octa­hedral FeIII unit, two water mol­ecules and the N atom of an acetonitrile mol­ecule. Two solvent water mol­ecules complete the structure. In the crystal structure, the dimeric mol­ecules are bridged by a pair of discrete inter­molecular O—H⋯O hydrogen bonds, one of which involves a sodium-bound water mol­ecule and a hydrate water, and the other a 5-chloro­phenolate O atom and a water molecule to form an extended chain along b.
doi:10.1107/S1600536807066895
PMCID: PMC2915160  PMID: 21200583
12.  Aqua­(4,4′-bipyridine-κN)bis­(1,4-dioxo-1,4-dihydronaphthalen-2-olato-κ2 O 1,O 2)zinc 4,4′-bipyridine mono­solvate dihydrate 
The reaction of 2-hy­droxy-1,4-naphtho­quinone and 4,4′-bipyridine with zinc acetate produced the title compound, [Zn(C10H5O3)2(C10H8N2)(H2O)]·C10H8N2·2H2O. The bond lengths and angles around the metal atom indicate a deviation from octa­hedral geometry. The two naphtho­quinone ligands coordinate in a cis fashion, with the 4,4′-bipyridine ligand and the water mol­ecules completing the coordination sphere of the metal atom. The asymmetric unit contains also one free 4,4′-bipyridine mol­ecule and two uncoordinated water mol­ecules. These mol­ecules make contacts with the complex through O—H⋯N and O—H⋯O hydrogen bonds, creating a layer two-dimensional network parallel to (121).
doi:10.1107/S1600536811038682
PMCID: PMC3246923  PMID: 22219743
13.  catena-Poly[[[diaqua­cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κ3 O 1,O 2:O 1′-[tetra­aqua­cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κ3 O 1:O 1′,O 2] dihydrate] 
In polymeric title compound, {[Co2(C7H2N2O7)2(H2O)6]·2H2O}n, obtained from the reaction of 3,5-dinitro­salicylic acid with cobalt(II) acetate, both CoII atoms are located on inversion centres and exhibit a distorted octahedral coordination geometry. The coordin­ation sphere about one CoII atom comprises four O-atom donors from two bidentate chelate (Ophenolate and Ocarbox­yl) and bridging dianionic ligands and two water mol­ecules [Co—O range = 2.0249 (11)–2.1386 (14) Å], while that about the second CoII atom has four water mol­ecules and two bridging carboxyl­ate O-donor atoms [Co—O range = 2.0690 (14)–2.1364 (11) Å]. The coordinated water mol­ecules as well as the water mol­ecules of solvation give O—H⋯O water–water and water–carboxyl hydrogen-bonding inter­actions in the three-dimensional framework structure.
doi:10.1107/S1600536810052694
PMCID: PMC3050395  PMID: 21522530
14.  Poly[[μ-aqua-tetraaquabis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato)strontium] hemihydrate] 
In the title coordination polymer, {[Sr(C4HO4)2(H2O)5]·0.5H2O}n, the Sr2+ ion is coordinated by three monodentate hydrogensquarate (hsq) anions and six aqua ligands in a distorted SrO9 monocapped square-anti­prismatic geometry. The hsq anions and water mol­ecules bridge the metal ions into infinite sheets lying parallel to (100). The O atom of the uncoordinated water mol­ecule lies on a crystallographic twofold axis. The packing is stabilized by numerous O—H⋯O hydrogen bonds.
doi:10.1107/S1600536811028704
PMCID: PMC3212191  PMID: 22090893
15.  Tetra­aqua­bis(isonicotinamide-κN 1)nickel(II) bis­(4-formyl­benzoate) dihydrate 
The asymmetric unit of the title complex, [Ni(C6H6N2O)2(H2O)4](C8H5O3)2·2H2O, contains one-half of the complex cation with the NiII atom located on an inversion center, a 4-formyl­benzoate (FB) counter-anion and an uncoordinated water mol­ecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octa­hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure.
doi:10.1107/S1600536809032279
PMCID: PMC2970033  PMID: 21577450
16.  Poly[di-μ2-aqua-μ4-chlorido-μ4-(2-mercaptopyrimidine-4,6-diolato-κ4 O:O:O′:O′)-disodium(I)] 
In the title coordination polymer, [Na2(C4H3N2O2S)Cl(H2O)2]n, the NaI ion lies on a twofold rotation axis and the chloride anion on an inversion center. The NaI ion is six-coordinated by two O atoms from two zwitterionic 2-mercaptopyrimidine-4,6-diolate ligands (mm2 symmetry), two water O atoms (m symmetry) and two Cl atoms in a distorted octa­hedral geometry. Adjacent NaI ions are bridged by an olate group, a water mol­ecule and a chloride anion into a three-dimensional network. The crystal structure is further stabil­ized by N—H⋯Cl, O—H⋯O and O—H⋯S hydrogen bonds.
doi:10.1107/S1600536810045836
PMCID: PMC3011735  PMID: 21589240
17.  Aqua­bis(2,2′-bipyridine-κ2 N,N′)(1H-indole-2-carboxyl­ato-κO)nickel(II) 1H-indole-2-carboxyl­ate dihydrate 
The hydro­thermal reaction of Ni2(OH)2CO3 with 2,2′-bipyridine and 2-indolyl-formic acid in CH3OH/H2O at 423 K for 7 d produced the novel NiII complex [Ni(C9H6NO2)(C10H8N2)2(H2O)](C9H6NO2)·2H2O. The asymmetric unit of the title compound consists of a monovalent [Ni(L)(bpy)2(H2O)]+ cation (bpy is 2,2′-bipyridine and L is 1H-indole-2-carboxyl­ate), an L anion and two solvent water mol­ecules. In the [Ni(L)(bpy)2(H2O)]+ cations, the Ni atom coordinates to four N atoms from the two bpy ligands and two O atoms, one from a L anion and the other from a water mol­ecule to complete an significantly distorted NiN4O2 octa­hedron. The coordinated and solvate water mol­ecules form an extensive series of O—H⋯O hydrogen bonds. N—H⋯O and C—H⋯O hydrogen bonds are also present and the mol­ecules are inter­linked, forming a three-dimensional network.
doi:10.1107/S1600536808041391
PMCID: PMC2967892  PMID: 21581519
18.  4,4′-Bipyridinium bis­(μ-4-oxo-1,4-dihydropyridine-2,6-dicarboxyl­ato)bis­[aqua­hydroxido­anti­monate(III)] dihydrate 
The title compound, (C10H10N2)[Sb2(C7H2NO5)2(OH)2(H2O)2]·2H2O, consists of a binuclear anion, a diprotonated 4,4′-bipyridinium cation and two uncoordinated water mol­ecules. Each SbIII atom is six-coordinated by one chelating 4-oxidopyridine-2,6-dicarboxyl­ate ligand, one water mol­ecule, one OH group and one bridging O atom from a neighboring carboxyl­ate group in a distorted penta­gonal-pyramidal geometry, with the OH group at the apical position. The two pyridine rings in the bipyridinium cation are twisted with respect to each other, making a dihedral angle of 22.7 (1)°. The cations are connected to the anions by N—H⋯O hydrogen bonds, forming a chain. The coordinated water mol­ecules form hydrogen bonds with the oxido O atoms of the anion, building a two-dimensional sheet, which is further connected into a three-dimensional structure by O—H⋯O and C—H⋯O hydrogen bonds and C=O⋯π inter­actions [O⋯centroid distances = 3.1785 (17), 3.4737 (19) and 3.5685 (19) Å].
doi:10.1107/S1600536810010743
PMCID: PMC2983914  PMID: 21580551
19.  Poly[triaquabis­(μ2-3-carboxy­pyrazine-2-carboxyl­ato)dilithium(I)] 
In the title compound, [Li2(C6H3N2O4)2(H2O)3]n, the coordination number for both independent Li+ cations is five. One of the Li+ ions has a distorted trigonal–bipyramidal geometry, coordinated by one of the carboxyl O atoms of a 3-carboxy­pyrazine-2-carboxyl­ate ligand, two O atoms from two water mol­ecules, and an N and a carboxyl­ate O atom of a second 3-carboxy­pyrazine-2-carboxyl­ate ligand. The other Li+ ion also has a distorted trigonal–bipyramidal geometry, coordinated by one water mol­ecule and two 3-carboxy­pyrazine-2-carboxyl­ate ligands through an N and a carboxyl­ate O atom from each. One of the carboxyl groups of the two ligands takes part in an intra­molecular O—H⋯O hydrogen bond. The stabilization of the crystal structure is further assisted by O—H⋯O, O—H⋯N and C—H⋯O hydrogen-bonding inter­actions involving the water mol­ecules and carboxyl­ate O atoms.
doi:10.1107/S1600536808004467
PMCID: PMC2960851  PMID: 21201874
20.  Poly[[di­aqua­deca-μ2-cyanido-κ20 C:N-hexa­cyanido-κ6 C-bis­(μ2-5-methyl­pyrimidine-κ2 N:N′)bis­(5-methyl­pyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate] 
In the title complex, {[Cu3[W(CN)8]2(C5H6N2)4(H2O)2]·2H2O}n, the coordination polyhedron of the eight-coordinated WV atom is a bicapped trigonal prism, in which five CN groups are bridged to CuII ions, and the other three CN groups are terminally bound. Two of the CuII ions lie on a centre of inversion and each of the three independent CuII cations is pseudo-octahedrally coordinated. In the crystal structure, cyanido-bridged-Cu—W—Cu layers are linked by pillars involving the third independent CuII ion, generating a three-dimensional network with non-coordinating water mol­ecules and 5-methyl­pyrimidine mol­ecules. O—H⋯O and O—H⋯N hydrogen bonds involve the coordinating and non-coordin­ating water mol­ecules, the CN groups and the 5-methyl­pyrimidine mol­ecules.
doi:10.1107/S1600536814000166
PMCID: PMC3998256  PMID: 24764817
21.  Poly[[tetra­aqua­bis­(μ3-1H-imidazole-4,5-dicarboxyl­ato)tetra­kis­(μ2-1H-imidazole-4,5-dicarboxyl­ato)tricobalt(II)diytterbium(III)] dihydrate] 
The asymmetric unit of the title compound, {[Co3Yb2(C5H2N2O4)6(H2O)4]·2H2O}n, contains one YbIII ion, two CoII ions (one situated on an inversion centre), three imidazole-4,5-dicarboxyl­ate ligands, two coordinated water mol­ecules and one uncoordinated water mol­ecule. The YbIII ion is seven-coordinated, in a monocapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl­ate ligands and one water O atom. Both CoII ions are six-coordinated in a slightly distorted octa­hedral geometry. The CoII ion that is located on an inversion center is coordinated by two O atoms from two water mol­ecules, as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl­ate ligands. The second CoII ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl­ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl­ate 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 inter­actions involving the water mol­ecules and the imidazole-4,5-dicarboxyl­ate ligands.
doi:10.1107/S1600536811028285
PMCID: PMC3212186  PMID: 22090888
22.  Tetra­aqua­(2,2′-bipyridine-κ2 N,N′)manganese(II) di-μ-aqua-bis­[aqua­(2,2′-bipyridine-κ2 N,N′)(5-sulfonatoisophthalato-κO)manganate(II)] tetra­hydrate 
The crystal structure of the title salt, [Mn(C10H8N2)(H2O)4][Mn2(C8H3O7S)2(C10H8N2)2(H2O)4]·4H2O, consists of mononuclear manganese(II) cations, dinuclear manganate(II) dianions and uncoordinated water mol­ecules. The dianion is located about an inversion center; the MnII atom is coordinated by a 2,2′-bipyridine ligand, a sulfonatoisophthalate group, a water mol­ecule along with two bridging water mol­ecules in an octa­hedral geometry. The cation lies on a twofold rotation axis; the MnII atom is coordinated by four water mol­ecules and a chelating 2,2′-bipyridine ligand in a distorted octa­hedral geometry. A partially overlapped arrangement between the bipyridine ligands and the aromatic ring of the sulfoisophthalate group of adjacent anions is observed; the distance (3.357 Å) indicates π–π stacking. Hydrogen bonds, with the water mol­ecules serving as hydrogen-bond donors, lead to a three-dimensional network architecture.
doi:10.1107/S1600536808020540
PMCID: PMC2961927  PMID: 21202998
23.  Poly[[aqua­tris­(μ-benzene-1,4-dicarboxyl­ato)tricobalt(II)] methanol monosolvate monohydrate] 
The asymmetric unit of the title compound, {[Co3(C8H4O4)3(H2O)]·CH3OH·H2O}n, consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl­ate (bdc) anions, two water and one methanol solvent mol­ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by one O atom from one coordinated water mol­ecule, while a third Co atom is coordinated by four O atoms from four bdc ligands within a strongly distorted tetra­hedral geometry. The other two Co cations are octa­hedrally coordinated by six O atoms from six bdc anions. The Co cations are linked by the bdc anions into a three-dimensional framework. From this arrangement, cavities are formed in which additional methanol and water mol­ecules are embedded.
doi:10.1107/S1600536811020009
PMCID: PMC3152069  PMID: 21836846
24.  Aqua­bis­[2,5-bis­(pyridin-2-yl)-1,3,4-thia­diazole-κ2 N 2,N 3](trifluoro­methane­sulfonato-κO)copper(II) trifluoro­methane­sulfonate 
2,5-Bis(pyridin-2-yl)-1,3,4-thia­diazole (denoted L) has been found to act as a bidentate ligand in the monomeric title complex, [Cu(CF3O3S)(C12H8N4S)2(H2O)](CF3O3S). The complex shows a distorted octahedrally coordinated copper(II) cation which is linked to two thia­diazole ligands, one water mol­ecule and one trifluoro­methane­sulfonate anion. The second trifluoro­methane­sulfonate anion does not coordinate the copper(II) cation. Each thia­diazole ligand uses one pyridyl and one thia­diazole N atom for the coordination of copper. The N atom of the second non-coordinating pyridyl substituent is found on the same side of the 1,3,4-thia­diazole ring as the S atom. The trifluoro­methane­sulfonate ions are involved in a three-dimensional network of O—H⋯O hydrogen bonds. C—H⋯N inter­actions also occur.
doi:10.1107/S1600536812008732
PMCID: PMC3343784  PMID: 22589758
25.  Tetra­aqua­bis(isonicotinamide-κN 1)cobalt(II) bis­(4-formyl­benzoate) dihydrate 
The asymmetric unit of the crystal structure of the title complex, [Co(C6H6N2O)2(H2O)4](C8H5O3)2·2H2O, contains one-half of the complex cation with the CoII ion located on an inversion center, a 4-formyl­benzoate (FB) counter-anion and an uncoordinated water mol­ecule. The four O atoms in the equatorial plane around the CoII ion form a slightly distorted square-planar arrangement with an average Co—O bond length of 2.086 Å; the slightly distorted octa­hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) Å] in the axial positions. The dihedral angle between the carboxyl­ate group and the attached benzene ring is 5.93 (13)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.758 (1) Å] may further stabilize the crystal structure.
doi:10.1107/S1600536809033200
PMCID: PMC2969956  PMID: 21577469

Results 1-25 (586411)