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1.
In the title compound, [Mn(C5H2N2O4)(C12H9N3)2]·H2O, the MnII centre is surrounded by three bidentate chelating ligands, namely, one 6‐oxido‐2‐oxo‐1,2‐dihydropyrimidine‐5‐carboxylate (or uracil‐5‐carboxylate, Huca2−) ligand [Mn—O = 2.136 (2) and 2.156 (3) Å] and two 2‐(2‐pyridyl)‐1H‐benzimidazole (Hpybim) ligands [Mn—N = 2.213 (3)–2.331 (3) Å], and it displays a severely distorted octahedral geometry, with cis angles ranging from 73.05 (10) to 105.77 (10)°. Intermolecular N—H...O hydrogen bonds both between the Hpybim and the Huca2− ligands and between the Huca2− ligands link the molecules into infinite chains. The lattice water molecule acts as a hydrogen‐bond donor to form double O...H—O—H...O hydrogen bonds with the Huca2− O atoms, crosslinking the chains to afford an infinite two‐dimensional sheet; a third hydrogen bond (N—H...O) formed by the water molecule as a hydrogen‐bond acceptor and a Hpybim N atom further links these sheets to yield a three‐dimensional supramolecular framework. Possible partial π–π stacking interactions involving the Hpybim rings are also observed in the crystal structure.  相似文献   

2.
The title racemic heterometallic dinuclear compound, [MnSn(C2H2O2S)3(H2O)5], (I), contains one main group SnIV metal centre and one transition metal MnII centre, and, by design, links the MnII centre to the building unit of the (Δ/Λ) [SnL3]2− complex anion (L is the 2‐sulfidoacetate dianion). In this cluster, the SnIV centre of the (Δ/Λ) [SnL3]2− unit is coordinated by three O atoms and three S atoms from three L ligands to form an [SnO3S3] octahedral coordination environment. The MnII centre is in an [MnO6] octahedral coordination environment, with five O atoms from five water molecules and the sixth from the μ2L ligand of the (Δ/Λ) [SnL3]2− unit. Between adjacent dinuclear molecules, there are many hydrogen‐bond interactions of O—H...O, O—H...S, C—H...O and C—H...S types. Of these, eight pairs of O—H...O hydrogen bonds fuse all the dinuclear molecules into two‐dimensional supramolecular sheets along the bc plane. Adjacent supramolecular sheets are further connected through O—H...S hydrogen bonds to give a three‐dimensional supramolecular network.  相似文献   

3.
The title compound, [Zn2(C9H4O6)2(C6H6N4)2], consists of two ZnII ions, two 5‐carboxybenzene‐1,3‐dicarboxylate (Hbtc2−) dianions and two 2,2′‐bi‐1H‐imidazole (bimz) molecules. The ZnII centre is coordinated by two carboxylate O atoms from two Hbtc2− ligands and by two imidazole N atoms of a bimz ligand, in a distorted tetrahedral coordination geometry. Two neighbouring ZnII ions are bridged by a pair of Hbtc2− ligands, forming a discrete binuclear [Zn2(Hbtc)2(bimz)2] structure lying across an inversion centre. Hydrogen bonds between carboxyl H atoms and carboxylate O atoms and between imidazole H atoms and carboxylate O atoms link the binuclear units. These binuclear units are further extended into a three‐dimensional supramolecular structure through extensive O—H...O and N—H...O hydrogen bonds. Moreover, the three‐dimensional nature of the crystal packing is reinforced by the π–π stacking. The title compound exhibits photoluminescence in the solid state, with an emission maximum at 415 nm.  相似文献   

4.
The asymmetric unit of the title compound, [Pb2(C8H4O4)2(C18H11N5)2]n, contains two PbII atoms, two benzene‐1,4‐dicarboxylate (1,4‐bdc) dianions and two 6‐(4‐pyridyl)‐5H‐imidazolo[4,5‐f][1,10]phenanthroline (L) ligands. Each PbII atom is eight‐coordinated by three N atoms from two different L ligands and five carboxylate O atoms from three different 1,4‐bdc dianions. The two 1,4‐bdc dianions (1,4‐bdc1 and 1,4‐bdc2) show different coordination modes. Each 1,4‐bdc1 coordinates to two PbII atoms in a chelating bis‐bidentate mode. Each carboxylate group of the 1,4‐bdc2 anion connects two PbII atoms in a chelating–bridging tridentate mode to form a dinuclear unit. Neighbouring dinuclear units are connected together by the aromatic backbone of the 1,4‐bdc dianions and the L ligands into a three‐dimensional six‐connected α‐polonium framework. The most striking feature is that two identical three‐dimensional single α‐polonium nets are interlocked with each other, thus leading directly to the formation of a twofold interpenetrated three‐dimensional α‐polonium architecture. The framework is held together in part by strong N—H...O hydrogen bonds between the imidazole NH groups of the L ligands and the carboxylate O atoms of 1,4‐bdc dianions within different α‐polonium nets.  相似文献   

5.
The title CdII coordination framework, [Cd(C15H8O5)(H2O)]n or [Cd(bpdc)(H2O)]n [H2bpdc is 2‐(4‐carboxybenzoyl)benzoic acid], has been prepared and characterized using IR spectroscopy, elemental analysis, thermal analysis and single‐crystal X‐ray diffraction. Each CdII centre is six‐coordinated by two O atoms from one 2‐(4‐carboxylatobenzoyl)benzoate (bpdc2−) ligand in chelating mode, three O‐donor atoms from three other bpdc2− anions and one O atom from a coordinated water molecule in an octahedral coordination environment. Two crystallographically equivalent CdII cations are bridged by one O atom of the 2‐carboxylate group of one bpdc2− ligand and by both O atoms of the 4‐carboxylate group of a second bpdc2− ligand to form a binuclear [(Cd)2(O)(OCO)] secondary building unit. Adjacent secondary building units are interlinked to form a one‐dimensional [Cd(OCO)2]n chain. The bpdc2− ligands link these rod‐shaped chains to give rise to a complex two‐dimensional [Cd(bpdc)]n framework with a 4,4‐connected binodal net topology of point symbol {43.62.8}. The compound exhibits a strong fluorescence emission and typical ferroelectric behaviour in the solid state at room temperature.  相似文献   

6.
A novel neutral polymer, {[Co2(C7H3NO4)2(H2O)4]·2H2O}n, was hydrothermally synthesized using pyridine‐2,5‐dicarboxylate (2,5‐PDC2−) as the organic linker. It features a two‐dimensional layer structure constructed from one‐dimensional {[Co(2,5‐PDC)2]2−}n chains interlinked by [Co(H2O)4]+ units. The two CoII cations occupy special positions, sitting on inversion centres. Each 2,5‐PDC2− anion chelates to one CoII cation via the pyridine N atom and an O atom of the adjacent carboxylate group, and links to two other CoII cations in a bridging mode via the O atoms of the other carboxylate group. In this way, the 2,5‐PDC2− ligand connects three neighbouring CoII centres to form a two‐dimensional network. The two‐dimensional undulating layers are linked by extensive hydrogen bonds to form a three‐dimensional supramolecular structure, with the uncoordinated solvent molecules occupying the interlamellar region.  相似文献   

7.
The asymmetric unit of the title compound, [Pb2(C8H3IO4)2(CH4O)]n, contains two PbII atoms, two 5‐iodoisophthalate (5‐IIP2−) ligands and one coordinated methanol molecule. One Pb atom is eight‐coordinated, surrounded by seven carboxylate O atoms from five 5‐IIP2− ligands and one O atom from the terminal methanol ligand. The other Pb atom is seven‐coordinated in a hemidirected geometry, surrounded by seven carboxylate O atoms from five 5‐IIP2− ligands. Both Pb atoms are connected by carboxylate groups to form a one‐dimensional infinite rod along the a axis; neighbouring rods are further linked by the aromatic rings of 5‐IIP2− to generate the final three‐dimensional structure with channels in the a direction. An O—H...O hydrogen bond between the methanol ligand and one of the carboxylate groups of a 5‐IIP2− ligand stablizes the three‐dimensional framework. Interestingly, a centrosymmetric rhombus‐shaped I4 unit is formed by four 5‐IIP2− ligands, with I...I distances of 3.8841 (8) and 3.9204 (8) Å.  相似文献   

8.
The title CdII compound, {[Cd2(C13H7NO4)2(H2O)4]·5H2O}n, was synthesized by the hydrothermal reaction of Cd(NO3)2·4H2O and 5‐(pyridin‐4‐yl)isophthalic acid (H2L). The asymmetric unit contains two crystallographically independent CdII cations, two deprotonated L2− ligands, four coordinated water molecules and five isolated water molecules. One of the CdII cations adopts a six‐coordinate octahedral coordination geometry involving three O atoms from one bidentate chelating and one monodentate carboxylate group of two different L2− ligands, one N atom of another L2− ligand and two coordinated water molecules. The second CdII cation adopts a seven‐coordinate pentagonal–bipyramidal coordination geometry involving four O atoms from two bidentate chelating carboxylate groups of two different L2− ligands, one N atom of another L2− ligand and two coordinated water molecules. Each L2− ligand bridges three CdII cations and, likewise, each CdII cation connects to three L2− ligands, giving rise to a two‐dimensional graphite‐like 63 layer structure. These two‐dimensional layers are further linked by O—H...O hydrogen‐bonding interactions to form a three‐dimensional supramolecular architecture. The photoluminescence properties of the title compound were also investigated.  相似文献   

9.
A new cadmium coordination polymer, [Cd(C5H2N2O4)(H2O)2]n, possesses a one‐dimensional zigzag chain structure built from CdII centers bridged sequentially by pairs of O and N atoms of the 5‐carboxyimidazole‐4‐carboxylate ligand. The CdII center is in a distorted octahedral geometry, being coordinated by two O atoms from two coordinated water mol­ecules [Cd—O = 2.322 (7) and 2.364 (7) Å], and by two N atoms [Cd—N = 2.222 (6) and 2.232 (6) Å] and two carboxyl O atoms [Cd—O = 2.383 (6) and 2.414 (6) Å] from two 5‐carboxyimidazole‐4‐carboxylate ligands.  相似文献   

10.
The title compound, [CuNa(C4H3O7S)(C10H8N2)(H2O)3]n, consists of one CuII cation, one NaI cation, one 2‐sulfonatobutanedioate trianion (SSC3−), one 2,2′‐bipyridyl (bpy) ligand and three coordinated water molecules as the building unit. The coordination of the CuII cation is composed of two pyridyl N atoms, one water O atom and two carboxylate O atoms in a distorted square‐pyramidal coordination geometry with an axial elongation. The NaI cation is six‐coordinated by three water molecules and three carboxylate O atoms from three SSC3− ligands in a distorted octahedral geometry. Two SSC3− ligands link two CuII cations to form a Cu2(SSC)2(bpy)2 macrocyclic unit lying across an inversion centre, which is further linked by NaI cations via Na—O bonds to give a one‐dimensional chain. Interchain hydrogen bonds link these chains to form a two‐dimensional layer, which is further extended into a three‐dimensional supramolecular framework through π–π stacking interactions. The thermal stability of the title compound has also been investigated.  相似文献   

11.
In the title cadmium(II) complex, [Cd(C8H4O5)(C14H14N4)(H2O)]n, the 5‐hydroxybenzene‐1,3‐dicarboxylate (5‐OH‐1,3‐bdc) and 1,4‐bis(imidazol‐1‐ylmethyl)benzene (1,4,‐bix) ligands bridge water‐coordinated CdII atoms to generate a three‐dimensional network. Two carboxylate groups from different ligands function as O,O′‐chelates, while two imidazole N atoms from different ligands coordinate in a monodentate fashion, and one water molecule completes the seven‐coordinate pentagonal bipyramid around the CdII atom, in which the N atoms occupy the axial sites and the O atoms occupy the equatorial sites. The overall architecture is a twofold interpenetrated CdSO4‐type framework. The two crystallographically equivalent frameworks are linked by O—H...O hydrogen bonds between the water, hydroxy and carboxylate groups.  相似文献   

12.
In the title complex, {[Cd2(C8H3NO6)2(C4H10N2)(H2O)4]·2H2O}n, the CdII atoms show distorted octahedral coordination. The two carboxylate groups of the dianionic 2‐nitroterephthalate ligand adopt monodentate and 1,2‐bridging modes. The piperazine molecule is in a chair conformation and lies on a crystallographic inversion centre. The CdII atoms are connected via three O atoms from two carboxylate groups and two N atoms from piperazine molecules to form a two‐dimensional macro‐ring layer structure. These layers are further aggregated to form a three‐dimensional structure via rich intra‐ and interlayer hydrogen‐bonding networks. This study illustrates that, by using the labile CdII salt and a combination of 2‐nitroterephthalate and piperazine as ligands, it is possible to generate interesting metal–organic frameworks with rich intra‐ and interlayer O—H...O hydrogen‐bonding networks.  相似文献   

13.
In the title coordination compound, [Mn(C8H10O4)(C14H14N4)(H2O)2]n, each MnII centre occupies an inversion centre. The 1,4‐bis(imidazol‐1‐ylmethyl)benzene (1,4‐bix) ligand and the trans‐cyclohexane‐1,4‐dicarboxylate dianion (chdc) both function in bridging modes, linking adjacent MnII centres into a two‐dimensional four‐connected (4,4) network. These two‐dimensional layers are stacked in a parallel mode. Hydrogen bonds between water molecules and carboxylate O atoms link neighbouring (4,4) networks, yielding a three‐dimensional α‐polonium net.  相似文献   

14.
A novel three‐dimensional ZnII complex, poly[aqua(μ4‐5‐carboxylato‐1‐carboxylatomethyl‐2‐oxidopyridinium)zinc(II)], [Zn(C8H5NO4)(H2O)]n, has been prepared by hydrothermal assembly of Zn(CH3COO)2·2H2O and 5‐carboxy‐1‐(carboxymethyl)pyridin‐1‐ium‐2‐olate (H2ccop). The ccop2− anions bridge the ZnII cations in a head‐to‐tail fashion via monodentate aromatic carboxylate and phenolate O atoms to form an extended zigzag chain which runs parallel to the [011] direction. One O atom of the aliphatic carboxylate group of the ccop2− ligand coordinates to the ZnII atom of a neighbouring chain thereby producing undulating layers which lie parallel to the (01) plane. A similar parallel undulating planar structure can be obtained if a path involving the other O atom of the aliphatic carboxylate group is considered. Thus, the aliphatic carboxylate group acts in a bridging bidentate mode to give extended –Zn–O–C–O–Zn– sequences running parallel to [001] which link the layers into an overall three‐dimensional framework. The three‐dimensional framework can be simplified as a 4‐connected sra topology with a Schläfli symbol of 42.63.8 if all the ZnII centres and ccop2− anions are regarded as tetrahedral 4‐connected nodes. The three‐dimensional luminescence spectrum was measured at room temperature with excitation and emission wavelengths of 344–354 and 360–630 nm, respectively, at intervals of 0.15 and 2 nm, respectively.  相似文献   

15.
The asymmetric unit of the title compound, [Cd(C8H4O4)(C17H8ClN5)(H2O)]n, contains one CdII atom, two half benzene‐1,4‐dicarboxylate (1,4‐bdc) anions, one 11‐chloropyrido[2′,3′:2,3]pyrimidino[5,6‐f][1,10]phenanthroline (L) ligand and one coordination water molecule. The 1,4‐bdc ligands are on inversion centers at the centroids of the arene rings. The CdII atom is six‐coordinated by two N atoms from one L ligand, three carboxylate O atoms from two different 1,4‐bdc ligands and one water O atom in a distorted octahedral coordination sphere. Each CdII center is bridged by the 1,4‐bdc dianions to give a one‐dimensional chain. π–π stacking interactions between L ligands of neighboring chains extend adjacent chains into a two‐dimensional supramolecular (6,3) network. Neighboring (6,3) networks are interpenetrated in an unusual inclined mode, resulting in a three‐dimensional framework. Additionally, the water–carboxylate O—H...O hydrogen bonds observed in the network consolidate the interpenetrating nets.  相似文献   

16.
In the title two‐dimensional coordination polymer, [Mn(1,4‐BDOA)(4,4‐bipy)(H2O)2]n [1,4‐BDOA2− is the p‐phenyl­ene­dioxy­di­acetate dianion (C10H8O6) and 4,4‐bipy is 4,4‐bi­pyridine (C10H8N2)], each MnII atom displays octahedral coordination by two O atoms of the 1,4‐BDOA2− groups, two N atoms of the 4,4‐bipy ligands and two solvent water mol­ecules. The MnII atom, 4,4‐bipy ligand and 1,4‐BDOA2− group occupy different inversion centres. Adjacent MnII atoms are bridged by 1,4‐BDOA2− groups and 4,4‐bipy ligands, forming a two‐dimensional network with Mn⋯Mn separations of 11.592 (2) and 11.699 (2) Å. Hydro­gen bonds from a water O—H group link the layers in the third dimension.  相似文献   

17.
The title novel heterometallic 3d–4f coordination polymer, {[CuEr2(C5HN2O4)2(C2O4)(H2O)6]·3H2O}n, has a three‐dimensional metal–organic framework composed of two types of metal atoms (one CuII and two ErIII) and two types of bridging anionic ligands [3,5‐dicarboxylatopyrazolate(3−) (ptc3−) and oxalate]. The CuII atom is four‐coordinated in a square geometry. The ErIII atoms are both eight‐coordinated, but the geometries at the two atoms appear different, viz. triangular dodecahedral and bicapped trigonal prismatic. One of the oxalate anions is located on a twofold axis and the other lies about an inversion centre. Both oxalate anions act as bis‐bidentate ligands bridging the latter type of Er atoms in parallel zigzag chains. The pdc3− anions act as quinquedentate ligands not only chelating the CuII and the triangular dodecahedral ErIII centres in a bis‐bidentate bridging mode, but also connecting to ErIII centres of both types in a monodentate bridging mode. Thus, a three‐dimensional metal–organic framework is generated, and hydrogen bonds link the metal–organic framework with the uncoordinated water molecules. This study describes the first example of a three‐dimensional 3d–4f coordination polymer based on pyrazole‐3,5‐dicarboxylate and oxalate, and therefore demonstrates further the usefulness of pyrazoledicarboxylate as a versatile multidentate ligand for constructing heterometallic 3d–4f coordination polymers with interesting architectures.  相似文献   

18.
The solvothermal reaction of MnCl2·H2O and 5‐methoxybenzene‐1,3‐dicarboxylic acid (MeO‐m‐H2BDC) led to a three‐dimensional MnII metal–organic framework, namely poly[(dimethylformamide‐κO)(μ4‐5‐methoxybenzene‐1,3‐dicarboxylato‐κ4O1:O1′:O3,O3′:O3)manganese(II)], [Mn(C9H6O5)(C3H7NO)]n or [Mn(MeO‐m‐BDC)(DMF)]n (DMF is dimethylformamide). The MnII atom is six‐coordinated and exhibits a distorted octahedral geometry formed by five carboxylate O atoms from four different MeO‐m‐BDC2− anionic ligands and by one DMF O atom. The three‐dimensional framework of (I) formed by the bridging MeO‐m‐BDC2− ligands and the MnII atoms exhibits a pts topological network when MeO‐m‐BDC2− and MnII are viewed as four‐connected nodes.  相似文献   

19.
In the title three‐dimensional coordination polymer, [Sr(4‐CPOA)(H2O)]n (where 4‐CPOA2− is the 4‐carboxylatophenoxy­acetate dianion, C9H6O5), each SrII atom displays a bicapped triangular prismatic configuration, defined by five carboxyl and one ether O atom from five different 4‐CPOA2− ligands, as well as two water mol­ecules. The SrII atoms are covalently linked by 4‐CPOA2− ligands and water mol­ecules, giving rise to a three‐dimensional open framework. In previously studied polymers of this type, the 4‐CPOA2− ligand shows a variety of binding modes to metal ions, from mono‐ to pentadentate. In the present SrII complex, a novel hexadentate bridging mode is observed.  相似文献   

20.
The title compound, [Zn(C8H4O4)]n, consists of one ZnII cation and one benzene‐1,2‐dicarboxylate dianion (BDC2−) as the building unit. The ZnII cation is four‐coordinated by four carboxylate O atoms from four dianionic BDC2− ligands in a distorted tetrahedral geometry. The ZnII cations are linked by the BDC2− ligands to generate a structure featuring two‐dimensional zinc–carboxylate layers containing left‐ and right‐handed helical chains. The two‐dimensional layers are stacked along the a direction. The thermal stability of the title compound has been studied.  相似文献   

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