Syntheses and catalytic performances of three coordination polymers with tetracarboxylate ligands

Three zincand cobaltcoordination polymers,namely{[Zn_(2)(μ_(6)-adip)(phen)_(2)]·4H_(2)O}_(n)(1),{[Co_(2)(μ_(6)-adip)(bipy)_(2)]·4H_(2)O}_(n)(2),and[Co_(2)(μ4-adip)(μ-bpa)_(2)]_(n)(3)have been constructed hydrothermally using H4adip(H4adip=5,5′-azanediyldiisophthalic acid),phen(phen=1,10-phenanthroline),bipy(bipy=2,2′-bipyridine),bpa(bpa=bis(4-pyridyl)amine),and zinc and cobalt chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and single-crystal X-ray diffrac-tion analyses.Single-crystal X-ray diffraction analyses revealed that three compounds crystallize in the orthorhom-bic system Pnna(1 and 2)or P21212(3)space groups.All compounds exhibit 3D frameworks.The catalytic perfor-mances in the Henry reaction of these compounds were investigated.Compound 3 exhibited an effective catalytic activity in the Henry reaction at 70℃.CCDC:2339391,1;2339392,2;2339393,3.

Syntheses,crystal structures,and catalytic properties of three zinc(Ⅱ),cobalt(Ⅱ)and nickel(Ⅱ)coordination polymers constructed from 5⁃(4⁃carboxyphenoxy)nicotinic acid

Three zinc(Ⅱ),cobalt(Ⅱ),and nickel(Ⅱ)coordination polymers,namely[Zn(μ^(3-)cpna)(μ-dpea)_(0.5)]_(n)(1),[Co(μ^(3-)cpna)(μ-dpey)_(0.5)]_(n)(2),and[Ni(μ^(3-)cpna)(μ-dpey)_(0.5)(H_(2)O)]_(n)(3),have been constructed hydrothermally using H_(2)cpna(5-(4-carboxyphenoxy)nicotinic acid),dpea(1,2-di(4-pyridyl)ethane),dpey(1,2-di(4-pyridyl)ethylene),and zinc,cobalt,and nickel chlorides at 160℃.The products were isolated as stable crystalline solids and were characterized by IR spectra,elemental analyses,thermogravimetric analyses,and single-crystal X-ray diffraction analyses.Single-crystal X-ray diffraction analyses revealed that three compounds crystallize in the triclinic system,space group P1.Compounds 1-3 show 2D layer structures.The catalytic activities in the Knoevenagel condensation reaction of these compounds were investigated.Compounds 1 and 2 exhibit effective catalytic activities in the Knoevenagel condensa-tion reaction at room temperature.For this reaction,various parameters were optimized,followed by the investiga-tion of the substrate scope.CCDC:2335676,1;2335677,2;2335678,3.

Transition metal coordination polymers with flexible dicarboxylate ligand:Synthesis,characterization,and photoluminescence property

Under solvothermal conditions,six new coordination polymers(CPs)[Mn(L)(phen)(H_(2)O)]_(n)(1),[Co(L)(phen)(H_(2)O)]_(n)(2),[Cu(L)(phen)(H_(2)O)]_(n)(3),[Zn_(2)(L)_(2)(phen)2(H_(2)O)]_(n)(4),[Zn(L)(phen)]_(n)(5),and[Cd(L)(phen)2]_(n)(6)were synthesized by reactions of dicarboxylate ligand 2,2'-(1,2-phenylenebis(methylene))bis(sulfanediyl)dinobutyric acid(H_(2)L)and 1,10-phenanthroline(phen)with the corresponding metal salts.Complexes 1-6 have been structurally characterized by single-crystal X-ray diffraction analyses,elemental analysis,IR,thermogravimetric analysis,and powder X-ray diffraction.The structures of 1-6 are 1D chains,which are further connected by hydrogen bonding interac-tions to form 3D supramolecular structures.Among them,1 and 2 are isomorphic with L2-of syn-conformation,while L2-shows anti-conformation in 3-6.In addition,the solid-state photoluminescence property of 4-6 was investigated.

Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers

Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.

Syntheses,structures,and properties of three coordination polymers based on 5⁃ethylpyridine⁃2,3⁃dicarboxylic acid and N⁃containing ligands

Three coordination polymers[Mn(epda)(2,2'⁃bipy)(H_(2)O)](1),[Mn(epda)(phen)](2),and[Co_(2)(epda)2(bpe)2(H_(2)O)_(4)]·5H_(2)O(3)(H2epda=5⁃ethyl⁃pyridine⁃2,3⁃dicarboxylic acid,2,2'⁃bipy=2,2'⁃bipyridine,phen=phenanthroline,bpe=1,2⁃bis(4⁃pyridyl)ethylene)were synthesized by solvothermal reactions and characterized by single⁃crystal X⁃ray diffraction,thermogravimetric analyses,IR spectroscopy and elemental analysis.1 displays a 1D chain struc⁃ture,and these chains are joined by O-H…O hydrogen bonding andπ⁃πstacking interactions to generate a 2D layer structure.2 displays a 2D layer structure,and adjacent layers are generated 3D architecture throughπ⁃πstacking interactions.3 displays a 1D chain structure,and adjacent chains are generated double layer structure through O-H…O hydrogen bonding.The fluorescent properties of 1 and 3 indicate that they can potentially be used as a luminescent sensor.1 was highly selective and sensitive towards o⁃nitrophenol through different detection mechanisms,however,3 was highly selective and sensitive towards 2,4,6⁃trinitrophenol.In addition,the magnetic behavior of 2 has also been investigated.CCDC:2172533,1,2355773,2,2355774,3.

Synthesis of energetic coordination polymers based on 4-nitropyrazole by solid-melt crystallization in non-ionization condition

Based on the theory of crystallization,a solvent-free solid-liquid phase crystallization method called solid-melt crystallization was designed to prepare energetic coordination polymers.Two target compounds[Cu(NPyz)_(4)NO_(3)]·NO_(3)(ECPs-1)and Cu(NPyz)_(4)(ClO_(4))_(2)(ECCs-2)were prepared through programmed heating and cooling by using 4-nitropyrazole(NPyz),(Cu(NO_(3))_(2)·5H_(2)O and Cu(ClO_(4))_(2)·5H_(2)O) as raw materials.In addition,crystallization pre-experiments and annealing experiments also verified the feasibility of the method.Their structures were confirmed by IR,elemental analysis,single-crystal X-ray diffraction and powder X-ray diffraction.The physicochemical properties and sensitivity test results showed that ECCs-2 has better thermal stability(T_(d)=221℃),while ECPs-1 is less sensitive to mechanical stimuli(IS=12 J,FS=240 N).Calculations based on EXPLO5 and the Kamlet-Jacobs equation showed that ECCs-2 has more considerable detonation performance(P=25.2 GPa,D=7.5 km/s).In comparison,the more intuitive results from the HN test,flame test,thermal resistance test and lead plate explosion test revealed that ECCs-2 has an“acceptable”detonation performance.The laser detonation test also showed that ECCs-2 is a promising excellent laser detonation material(E=408 mJ,P=24 W,τ=17 ms).

Encapsulation of lipases on coordination polymers and their catalytic performance in glycerolysis and esterification

In this study,lipases of CALB(Candida antarctica lipase B),TLL(Thermomyces lanuginosa lipase),RML(Rhizomucor miehei lipase),CALA(Candida antarctica lipase A)and LU(Lecitase?Ultra)were encapsulated into the nucleotidehybrid metal coordination polymers(CPs)for diacylglyerols(DAG)preparation.Guanosine 5'-monophosphate(GMP)and adenosine 5'-monophosphate(AMP)were used as coordinating molecules,and metal ions of Fe^(3+),Ba^(2+),Mn^(2+),Ni^(2+)and Cr^(3+)were applied to prepare matrix.Results indicated that,besides Ba^(2+)with AMP,all other metal ions can coordinate with AMP and GMP to generate CPs.In addition,the AMP/Ni was amorphous when standing temperature was 4℃,while it was crystalline when standing temperature was from 30 to 180℃.DAG content from 47.55%to 64.99%was obtained from glycerolysis by CALB@GMP/Ba,RML@GMP/Ba,TLL@GMP/Ba,RML@GMP/Mn and TLL@GMP/Mn.Additionally,CALB@GMP/Fe showed selectivity towards DAG formation in the esterification and DAG content up to 61.88%was obtained.

Syntheses, Crystal Structures and Magnetic Properties of Ni(Ⅱ) and Mn(Ⅱ) Coordination Polymers Constructed from 5-(2'-Carboxylphenyl) Nicotate and 2,2'-Biimidazole

Two coordination polymers, namely {[Ni（cpna）（H2biim）（H2O）]·H2O}n （1） and {[Mn（cpna）（H2biim）]·H2O}n （2） （H2cpna = 5-（2＇-carboxylphenyl） nicotic acid, H2biim = 2,2＇- biimidazole）,have been hydrothermally synthesized and characterized by elemental analysis, IR, TG, magnetic properties, and single-crystal X-ray diffraction. Compound 1 exhibits a one- dimensional （1D） step-like chain structure, which further builds a three-dimensional （3D） supramolecular architecture via O–HAAAO and N–HAAAO hydrogen-bonding and π-π stacking interactions. Compound 2 possesses a one-dimensional （1D） double chain structure, which is further assembled into a 3D supramolecular framework by N–HAAAO hydrogen bonding and π-π stacking interactions. Magnetic susceptibility measurement indicates that compound 1 shows a weak antiferromagnetic coupling between the nearest Ni（II） centers, with g = 2.11 and J = –1.87 cm^-1.

Cluster-based Magnetic Porous Coordination Polymers

The creation of a porous magnet is a long-sought academic goal since magnetism and porosity are hostile to one another. While long-range magnetic ordering needs spin carriers of short separation through short bridges, porosity relies on the use of extended connecting ligands. Here, we will give a survey of the cluster-based magnetic porous coordination polymers, i.e., 0-D MPCPs, according to their functional subunits： （1） nanoporous spin crossover materials with single metal nodes; （2） metal-radical approach with rigid organic radical ligands and single metal nodes; （C） PCPs with rigid organic ligands and metal oligomer nodes; （D） PCPs with metal complex linkers and polymetal cluster nodes; （E） PCPs with organo-polymetal cluster linkers and single metal nodes. The assembly from clusters can provide a reasonable route to resolve the hostility between magnetism and porosity. This assembly’s merits are obvious： the pore benefits from the big cluster according to ＂Scale Chemistry＂, and the functional framework inherits interesting physical properties from the clusters with a large ground spin S.

Effect of Substituent Groups on the Syntheses of Two Ag Coordination Polymers Based on Tetrazole-yl Acylamide

Two novel Ag coordination polymers based on tetrazole-yl acylamide, Ag（NTAA） （1, H-NTAA = N-（1H-tetrazol-5-yl）acetamide） and Ag（NTPA） （2, H-NTPA = N-（1H-tetrazol- 5-yl）propionamide） have been synthesized under solvothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 features a 3-connected 4.82-fes network and compound 2 displays a ladder-like chain. The different structures between 1 and 2 are mainly related with the substituent groups oftetrazole-yl acylamide.

Synthesis and Structure of Ag(I)- Containing Coordination Polymers Based on Quaternary Ammonium Template Reagent

A novel coordination polymer [(C8H20N)(Ag2I3)]n ([C8H20N]+ = tetraethyl ammo- nium (TEA)) was synthesized by the reaction of AgI and C8H20NI at room temperature with pH = 6.5, and structurally characterized by means of X-ray single-crystal diffraction. It crystallizes in orthorhombic, space group Pna21 with a = 7.3323(9), b = 18.250(2), c =12.5294(15) ?, C6.33H16.16NAg2I3, Mr = 702.76, V = 1676.6(4) ?3, Z = 4, Dc = 2.784 g/cm3, F(000) = 1256.6, μ(MoKα) = 7.828 mm-1, the final R = 0.0529 and wR = 0.1586 for 1189 observed reflections with I > 2σ(I). X-ray analysis shows that the [Ag2I3]n- chain is built up by AgI4 tetrahedron and in combination with quaternary ammonium cations ([C8H20N]+) by static attractive forces to form the so-called organic-inorganic hybrid material.

Syntheses, Crystal Structures, and Magnetic Properties of the Cobalt(Ⅱ) and Nickel(Ⅱ) Coordination Polymers Constructed from 5-Halonicotinate and 2,2ˊ-Biimidazole

Two coordination polymers, namely [Co（5-Clnic）2（H2biim）]n 1 and {[Ni（5-Clnic）（Hbiim）]·H2O}n 2（5-Clnic H = 5-halonicotinic acid, H2 biim = 2,2ˊ-biimidazole）, were assembled. Single-crystal X-ray diffraction studies show that compound 1 possesses a 1D chain coordination network, which is further extended into a 3D supramolecular architecture via N–H…O hydrogen bonds and π-π packing interactions. Compound 2 features a 1D chain structure based on the hexanuclear macrocycles. The adjacent 1D chains are held together into a 3D supramolecular framework via N–H…O and O–H…O hydrogen bonding interactions. Thermal stability and magnetic properties of both compounds were studied and discussed.

Syntheses, Crystal Structures and Magnetic Properties of Cobalt(Ⅱ) and Manganese(Ⅱ) Coordination Polymers Constructed from 5-(Pyridin-4-yl)Isophthalate Ligands

Two coordination polymers, namely {[Co（L）（H2O）]·H2O}n （1） and [Mn（L）（phen）]n （2, H2L = 5-（pyridin-4-yl）isophthalic acid, phen = 1,10-phenanthroline）, have been hydrothermally synthesized and characterized by elemental analysis, IR, TG, magnetic properties, and single-crystal X-ray diffraction. 1 belongs to the triclinic system, space group Pī with α = 7.2188（7）, b = 10.0835（8）, c = 10.2069（7） ？, α = 113.713（7）, β = 99.490（7）, γ = 104.516（8）o, V = 628.24（9） ？3, C13H11NCoO6, Mr = 336.16, Z = 2, Dc = 1.777 Mg/m3, μ（MoKα） = 1.395 mm–1, F（000） = 342, S = 1.041, the final R = 0.0381 and wR = 0.0819 for 3744 observed reflections （I 〉 2σ（I）） and R = 0.0448 and wR = 0.0874 for all data. 2 belongs to the monoclinic system, space group P2/c with α = 12.9185（3）, b = 10.4343（2）, c = 31.7650（6） ？, β = 101.282（2）o, V = 4199.08（13） ？3, C50H30N6Mn2O8, Mr = 952.68, Z = 4, Dc = 1.507 Mg/m3, μ（MoKα） = 5.447 mm–1, F（000） = 1944, S = 1.128, the final R = 0.1003 and wR = 0.1052 for 8247 observed reflections （I 〉 2σ（I）） and R = 0.2595 and wR = 0.2625 for all data. Single-crystal X-ray diffraction studies show that compound 1 features a 2D sheet structure based on a dicobalt（II） subunit, which is further extended into a 3D metal-organic supramolecular framework by O–H… hydrogen bond. Compound 2 also possesses a 2D sheet, which is held together into a 3D supramolecular architecture via C–H… hydrogen bond and π-π stacking interactions. Magnetic studies for compound 2 show antiferromagnetic coupling between the adjacent metal centers, with J = –11.8 cm–1 and g = 2.12 for 2.

Two Ni^Ⅱ/Cu^Ⅱ Coordination Polymers Based on Pyridyl-carboxylate Ligand:Synthesis,Crystal Structures and Magnetic Properties

Under hydrothermal conditions, the reactions of NiII/CuII ions with 3-（6-aminpyri- dinium-3-yl） benzoate （HL） afford two compounds [NiL2]n （1） and [CuL2（H2O）]n （2）. On the basis of X-ray diffraction analysis of the two compounds, the results show that compound 1 features one-dimensional （1D） double-strand coordination arrays, while 2 presents the 63-hcb layers. Both compounds are further constructed into a 3D supramolecular structure with the aid of weak secondary interactions. Thermal stabilities and magnetic properties of compounds 1 and 2 were also investigated.

Syntheses,Crystal Structures,and Magnetic Properties of Two Manganese(Ⅱ) Coordination Polymers Based on Bifunctional Pyridine-benzene Carboxylic Acids

Two manganese（II） coordination polymers, namely, {[Mn（PIP）（BIBP）]·（BIBP）0.5}n（1） and {[Mn（PTA）（BIMBP）（H2O）]·H2O（0.69）}n（2）（H2PIP = 5-（4-pyridyl）-isophthalic acid, H2 PTA =6-（4-pyridyl）-terephthalic acid, BIBP = 4,4？-bis（imidazol-1-yl）biphenyl, and BIMBP =4,4？-bis（imidazol-1-ylmethyl）biphenyl）, have been synthesized by using the bifunctional pyrinde-benzene carboxylic acids and bis（imidazole） linkers as mixed ligands to react with Mn SO4,and further characterized by elemental analysis, IR, and PXRD. Compound 1 is in the triclicnic system, space group P1 with a = 10.1089（8）, b = 13.1927（12）, c = 14.0638（12）A, α = 69.437（2）, β= 73.2890（10）, γ = 78.5320（10）o, V = 1671.9（2） A^3, Z = 2, Dc = 1.449 g/cm^3, F（000） = 705,μ（MoK α） = 0.453 mm^-1, S = 1.053, R = 0.0491 and wR = 0.1367 for 5837 unique reflections（Rint =0.0208） with I 〉 2σ（I）. Compound 2 belongs to the monoclicnic system, space group C2/c with a =15.199（3）, b = 19.731（3）, c = 21.537（5） ？, β = 105.228（3）o, V = 6232（2） A^3, Z = 8, Dc = 1.363g/cm^3, F（000） = 2648, μ（MoK α） = 0.475 mm^-1, S = 1.048, R = 0.0489 and wR = 0.1151 for 7414 unique reflections（Rint = 0.0425） with I 〉 2σ（I）. Structural analyses reveal that complex 1 is a4-connected（44.62）-sql bilayer structure with binuclear [Mn2（COO）2] SBU, while complex 2 is a normally（3,5）-connected（42.67.8）（42.6）-3,5L2 monolayer. And the sheets interacted with the adjacent sheets through weak interactions, finally giving a stable three-dimensional（3D）supramolecule. Besides, the variable-temperature magnetic susceptibility measurement of complex1 was investigated.

Syntheses, Crystal Structures, and Magnetic Properties of Mn(Ⅱ) and Co(Ⅱ) Coordination Polymers Constructed from Pyridine-tricarboxylate Ligand

Two coordination polymers, namely {[Mn（HL_1）（phen）]·4H_2O}_n（1） and [Co_2（HL_2）_2（H_2O）_2]_n（2） have been constructed hydrothermally using H_3L_1 and H_3L_2（H_3L_1 = 2-（5-carboxypyridin-2-yl）terephthalic acid, H_3L_2 = 2-（4-carboxypyridin-3-yl）terephthalic acid）, phen, MnCl_2×4H_2O and CoCl_2×6H_2O. The products were isolated as stable crystalline solids and were characterized by IR spectroscopy, elemental, thermogravimetric（TGA）, powder（PXRD） and single-crystal X-ray diffraction analyses. Compound 1 features a 3D framework structure, which was topologically classified as a trinodal 4,6,6-connected net with the unique topology defined by the point symbol of（3^（10）.5.6~4）4（3^（10）.6.7~4）2（5.6~2.8~2.9）. Compound 2 possesses a 2D metal-organic layer, which was topologically classified as a binodal 4,4-connected layer defined by the point symbol of（4~3.6~2.8）. The layers are further extended into a 3D supramolecular framework via hydrogen bonds. The magnetic properties for both compounds were also investigated, indicating antiferromagnetic interactions between the adjacent metal ions.

H_(2)O_(2)-sensitive nanoscale coordination polymers for photoacoustic tumors imaging via in vivo chromogenic assay

Photoacoustic(PA)imaging with much deeper tissue penetration and better spatial resolution had been widely employed for the prevention and diagnosis of many diseases.In this study,a new type of hydrogen peroxide(H_(2)O_(2)T-activated photoacoustic nanoprobe[Mn-AH nanoscale coordination polymer nanodots(NCPs)]was successfully synthesized by a simple one-step method in water phase containing 2,20-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid)(ABTS),horse radish peroxidase(HRP),and manganese ion(Mn^(2+).After modification by polyethylene glycol(PEG),Mn-AH NCPs exhibited excellent stability and biocompatibility for in vivo H_(2)O_(2)-responsive chromogenic assay with great speci¯city and sensitivity.In the presence of H_(2)O_(2),colorless ABTS would be converted by HRP into the oxidized form with strong near-infrared(NIR)absorbance,enabling photoacoustic detection of endogenous H_(2)O_(2).Using H_(2)O_(2)-activated Mn-AH NCPs,we have successfully performed PA imaging and H_(2)O_(2)detection of subcutaneous murine colon CT26 tumor and deep-seated orthotopic bladder tumor.Due to the inherent Mn element existence inside the Mn-AH,this nanoprobe also serves as a good T1-weighted magnetic resonance imaging(MRI)contrast agent simultaneously.Lastly,after accomplishing its imaging functions,the Mn-AH NCPs could be cleared out from the body without any long-term toxicity,providing a new opportunity for cancer diagnosis and treatment.

Two Co(Ⅱ)Coordination Polymers Based on 3,5-Di(4H-1,2,4-triazole-4-yl)benzoic Acid Ligand:Syntheses,Structures and Magnetic Property

Two Co（Ⅱ） coordination polymers, namely [Co（L）Cl]n（1） and [Co（L）（CH3 COO）]n（2）, {HL = 3,5-di（4 H-1,2,4-triazole-4-yl）benzoic acid}, were synthesized under hydrothermal conditions. Compound 1 crystallizes in orthorhombic system, space group Pmma with a = 7.032（5）, b = 11.555（8）, c = 8.185（5） A, V = 665.1（7） А3, Z = 2, Dc = 1.746 g/cm3, F（000） = 350, Mr = 349.61, μ = 1.504 mm（-1）, the final R = 0.0568 and w R = 0.1739 for 2312 observed reflections with I 2σ（I）. Compound 2 crystallizes in orthorhombic system, space group Pmma with a = 7.7505（17）, b = 11.391（3）, c = 8.0298（18） A, V = 708.9（3） A3, Z = 2, Dc = 1.748 g/cm3, F（000） = 378, Mr = 373.20, μ = 1.245 mm-1, the final R = 0.0350 and w R = 0.0873 for 5239 observed reflections with I 2σ（I）. Single-crystal X-ray analyses revealed that complexes 1 and 2 exhibit similar 2 D layer structures with uncoordinated carboxyl as dangling arms. The neighboring layers are further connected by these arms, leading to interest 2 D → 3 D polythreading frameworks. Moreover, the magnetic susceptibility study indicates compound 1 exhibits antiferromagnetic behavior.

Syntheses and Structures of Two New Coordination Polymers:[Cu(C_(14)H_9O_4)(C_(14)H_(10)O_4)(C_(12)H_(12)N_2)_2] and [Ag(C_(14)H_9O_4)(C_(13)H_(14)N_2)]·0.5H_2O

Under hydrothermal conditions, two new ribbon-like structures, [Cu(C14H9O4)- (C14H10O4)(C12H12N2)2] 1 and [Ag(C14H9O4)(C13H14N2)]0.5H2O 2, were obtained. X-ray crystal analysis revealed that these structures were constructed by mixed ligands. The coordination polymer forms the basic architecture while the weak interactions extend the framework into a secondary structure. The whole structures of them are governed by collaboration of the strong and weak interactions. Compound 1 crystallizes in monoclinic, space group C2/c with a = 17.0485(3), b = 11.0558(3), c = 22.7623(4) ? ?= 102.465(1), V = 4189.2(2) 3, Z = 4, Mr = 915.44, Dc = 1.451 g/mL, F(000) = 1904 and m(MoKa) = 0.587 cm-1. The final R and wR are 0.0430 and 0.1022, respectively for 3037 observed reflections with I > 2s(I). Compound 2 crystallizes in monoclinic, space group P21/c with a = 11.5963(4), b = 11.7004(5), c = 17.1254(5) ? ?= 95.620(1), V = 2312.4(1) 3, Z = 4, Mr = 556.35, Dc = 1.598 g/mL, F(000) = 1132 and m(MoKa) = 0.912 cm-1. The final R and wR are 0.0431 and 0.1050, respectively for 2629 observed reflections with I > 2σ(I).

Gd Doped Hollow Nanoscale Coordination Polymers as Multimodal Imaging Agents and a Potential Drug Delivery Carriers

Gd doped hollow nanoscale coordination polymers with multimodal imaging capabilities were synthesized by solvothermal method and further coated by silica layer.The in vitro tests demonstrated uncoated and silica-coated nanoprobes exhibit longitudinal relaxivities(r1)of 7.38 and 13.57(mmol/L)-1·s-1,and transverse relaxivities(r2)of 180.6 and 304.8(mmol/L)-1·s-1,showing fairly good dual T1&T2 contrast effects,and it also emits excellent multicolor uorescence under laser beams of various wavelengths.With the com-bination of magnetic resonance imaging(MRI)(both T1 and T2)and uorescence optical imaging(FOI),the nanoprobes could correlate preoperative diagnosis with intraoperative pathology.Furthermore,it also exhibits high drug loading capacity of 1166 mg/g and en-capsulation efficiency of 83.29%,which makes it a potential platform as drug carriers.The MTT assay demonstrates the moderate toxicity of the NPs,and after the silica coating process,not only the MRI contrast effects but also the biocompatibility have been enhanced.The versatility of the highly integrated systems can make up for the limitations of each imaging modality and exhibit great potentials for cancer theranostics.