Synthesis and Crystal Structure of Mn(phen)(CF3COO)(H2O)3·NO3

The mononuclear manganese complex Mn(phen)(CF3COO)(H2O)3(NO3 (C14H14O8N3F3Mn) has been synthesized, where phen = 1,10-phenanthroline. The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 8.8550(3), b = 10.6529(3), c = 19.8763(2) A, β = 97.762(2)o, V = 1857.78(8) A3, Z = 4, Mr = 464.22, Dc = 1.660 g/cm3, μ = 0.789 mm-1, F(000) = 940, T = 293(2) K, R = 0.0764 and wR = 0.2441 for 1995 observed reflections with I > 2σ(I). In the crystal the manganese atom is six-coordinated by two chelated nitrogen atoms from phenanthroline, three oxygen atoms from water molecules and one oxygen atom from trifluoroacetate, completing an octahedral geometry.     

Crystal Structure of 〔PrAl(CF_3COO)_2(CF_3CHOO)(C_2H_5)_2(C_4H_8O)_2〕_2

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Crystal Structure and Interaction with DNA of [Ni(phen)(mal)(H_2O)_2]·3H_2O

1 INTRODUCTION In the last few years, much attention has been paid to the molecular structure and biological activity of coordinated complexes in inorganic chemistry field. Ni(Ⅱ) is one of the commonest transition metals with two coordination numbers (4 and 6)[1～3]. Ge- nerally speaking, Ni(Ⅱ) coordination mode depends on the structure of ligand, solvent and reaction con- ditions, among which ligand plays a decisive role and determines not only the molecular structure of the complex bu…     

Synthesis and Crystal Structure of a Two-dimensional Framework Supramolecular Complex [Mn(phen)(DPZDA)(H_2O)]·2H_2O

1INTRODUCTION Crystal engineering has captured the interest of re-searchers these years[1,2].Especially,supramolecular chemistry based on weak interactions(hydrogen bond,π-πstacking,C–H···O interaction,ion-πinter-action and hydrophobic interaction,et al.)is one of the most hottest studying fields[3～5].So far,in this field,intensive endeavors have been paid to the synthesis of novel functional complexes possessing catalysis,non-linear optical property,magnetism and molecular recog…     

Synthesis and Crystal Structure of Co(C_6NO_2H_4)_3. H_2O

1INTRoDUCTIONAlotofresultsoncobaltcomplexstructureshavebeenreportedforseveraldecades.Theinterestofresearchinthisfieldhasneverbeenreducedbecausethecobaltcomplexesplayaveryimportantroleinthelifescienceandcatalysis,etc[1-6).WereportherethesynthesisandstructureofcomplexCo(C,NO,H'),.H,O.2EXPERIMENTALAllreagentsandsolventsusedareofARgradefromcommericalsourceswithoutfurtherpurification.ThetitlecompoundCo(C,NO,H,),.H,Owassynthesizedbythefollowingmethod.When2.4g(ca.1mmol)ofCoCl2.6H2Ow…     

Synthesis and Crystal Structure of [{Cd(hmbdc)(H_2O)_3}·2H_2O]_n

A novel coordination polymer [{Cd(hmbdc)(H2O)3}·2H2O]n (hmbdc = 5-hydroxy- isophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c, with a = 9.599(3), b = 18.699(5), c = 7.557(2) , β = 108.198(4)°, V = 1288.6(6) 3, Z = 4, Mr = 382.60, Dc = 1.972 g/cm3, F(000) = 760, μ = 1.740, the final R = 0.0555 and wR = 0.0995 for 1732 observed reflections with I > 2σ(I). The structural analysis shows that the intermolecular hydrogen bonds and π-π interactions result in a three-dimensional supramolecular framework.     

Synthesis and Crystal Structure of [Cu_2(DMF)(H_2O)(C_7H_4NO_4)_2(C_7H_3NO_4)]_2·3.5DMF

A new copper(II) complex [Cu2(DMF)(H2O)(C7H4NO4)2(C7H3NO4)]2·3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 10.722(3),b = 18.170(4),c = 20.923(7),α = 105.297(9),β = 101.701(10),γ = 105.74(1)°,V = 3615(1) 3,Z = 2,C58.50H64.50Cu4N11.50O31.50,Mr = 1686.90,Dc = 1.550 g/cm3,μ = 1.255 mm-1,F(000) = 1728.00,T = 150(2) K,the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I > 2σ(I).In the crystal,each formular unit consists of two dinuclear copper(II) compounds,between which the O-H···O hydrogen bonds exist.Each CuII cation is six-coordinated in an octahedral geometry.The intermolecular hydrogen-bonding interaction leads to a 3-D framework of the title compound.     

Synthesis and Crystal Structure of {Cu_2(pdc)_2(4,4''''-bipy)(H_2O)·3H_2O}_2

1 INTRODUCTION The increasing interest in inorganic-organic hybrid framework assemblies has resulted in a great number of research efforts focused on the develop- ment of new functional materials possessing various potential applications on catalysis, electrical conduc- tivity and magnetism[1～4]. In recent years, the inter- action of H2pdc with several metal ions has been extensively studied[5, 6] due to its unique ability to form stable chelates in diverse coordination modes such as bid…     

Synthesis and Crystal Structure of [Zn(FcCOO)_2(2,2'-bipy)(H_2O)]_2·H_2O

A novel complex [Zn(FcCOO)2(2,2'-bipy)(H2O)]2·H2O (Fc = (η5-C5H5)Fe(η5-C5H4), 2,2'-bipy = 2,2'-bipyridine) has been synthesized and characterized by elemental analysis, IR and X-ray diffraction. It crystallizes in monoclinic system, space group P21/c with a = 6.8187(4), b = 21.7155(13), c = 19.7411(12) A, α = 90, β = 97.7420(10), γ = 90o, C64H58Fe4Zn2N4O11, Mr = 1413.28, V = 2896.4(3) A3, Dc = 1.620 g/cm3, Z = 2, F(000) = 1444, μ(MoKα) = 1.857 mm-1, R = 0.0523 and wR = 0.0982 for 3219 observed reflections (I > 2σ(I)). Structural analysis shows that the zinc atom is coordinated with three oxygen atoms from two ferrocenemonocarboxylates and one water molecule together with two nitrogen atoms from 2,2'-bipyridine, giving a distorted square-pyramidal coordination geometry. The complex molecules are linked to form an infinite one-dimensional chain by both intermolecular hydrogen bonds and π-π stacking interactions of the bipyridine rings.     

Synthesis, Crystal Structure and Spectral Properties of [Ce(NO_3)_5(H_2O)_2]·2(Hphen)·(H_2O)

1 INTRODUCTION Recently, the ternary or quaternary mixed anion complexes of cerium(III) containing 1,10-phenanthroline (phen) have attracted considerable attention due to their rich structural chemistry and appealing magnetic properties[1]. Panagiotopou…     

Crystal Structure of [CH_3CH(OH)COO]_2Fe(H_2O)_2·H_2O

<正> The title compound C6H16O9Fe, Mr = 288. 13, was synthesized and crystallized in monoclinic space group P21/c, a = 9. 409(4), b = 5. 812(4), c= 22. 122(7)(?) , β=90. 80(3)°. V = 1209. 6(?)3, Z = 4, Dc=1. 572g/cm3, F(000) = 592, μ = 12. 73cm-1, R = 0. 063, Rw= 0. 068 for 1191 observed reflections. The iron atom is surrounded by O(1 - 6) in a distorted octahedron.     

Synthesis, Crystal Structure and Electrochemical Properties of [Ni(phen)_3]·(m-nitrobenzoic acid)_2·(H_2O)

A new nickel(II) coordination complex [Ni(phen)3]·(m-nitrobenzoic acid)2·(H2O) was synthesized by self-assembly of m-nitrobenzoic acid, 1,10-phenanthroline and nickelous per- chlorate. It crystallizes in the monoclinic system, space group C2/c, with a = 2.4596(6), b = 1.2124(3), c = 1.9824(5) nm, β = 97.088(5)o, V = 5.866(3) nm3, Dc = 1.474 g/cm3, Z = 4, Mr = 1301.82, μ(MoKα) = 0.417 mm-1 F(000) = 2688, R = 0.0493 and wR = 0.1025. Structural deter- mination indicates that the nickel(II) ion is coordinated with six nitrogen atoms from three phens, giving a distorted octahedral coordination geometry. The cyclic voltametric analysis shows that the electron transfer in the electrode reaction is irreversible.     

Synthesis and Crystal Structure of [{Mn(IBG)(2,2'-bipy)(H_2O)}·4H_2O]_n

A novel MnⅡ complex [{Mn(IBG)(2,2'-bipy)(H2O)}·4H2O]n 1(H2IBG=isophtha-loylbisglycine and 2,2'-bipy = 2,2'-bipyridine) has been synthesized and characterized by singlecrystal X-ray diffraction,elemental analysis,IR spectra and thermogravimetric analysis.It crystallizes in monoclinic,space group P21/n,with a=13.667(2),b=14.045(2),c=14.195(2),β=101.483(3)°,V=2670.1(7)3,Z=4,C22H26N4O11Mn,Mr=577.41,Dc=1.436 g/cm3,F(000)=1196.0,μ(MoKα)=0.558 mm-1,the final R=0.0578 and wR=0.1460 for 2974 observed reflections with I2σ(I).In the structure,the MnⅡ atom is coordinated in a distorted octahedral environment arranged by one water molecule,one 2,2'-bipy ligand and two IBG ligands.     

Hydrothermal Synthesis,Crystal Structure and Thermal Stability of a Novel Water Cluster [Mn(phen)_2·H_2O·Cl]·p-FBA·3H_2O

A novel water cluster [Mn(phen)2·H2O·Cl]·p-FBA·3H2O (p-FBA = p-fluorobenzoic acid and phen = 1,10-phenanthroline) was synthesized by the hydrothermal reaction of MnCl2 with p-FBA and phen at 150 ℃ and characterized by elemental analysis,IR spectra and TG. Its crystal structure was determined by X-ray single-crystal diffraction study. The crystal belongs to the triclinic system,space group P1,with a = 10.5768(1),b = 11.5960(1),c = 12.9916(2) ,α = 101.816(2),β = 95.397(2),γ = 103.052(2)o,V = 1502.8(3) 3,Z = 2,Dc = 1.463 g/cm3,R = 0.0399 and wR = 0.0997. The crystal structure shows that the manganese(Ⅱ ) ion is six-coordinated by four nitrogen atoms,one chloride ion and one oxygen atom forming a distorted octahedral coordination geometry. The structure includes three acyclically connected water molecules and one coordinated water molecule thus forming a (H2O)4 water cluster. This water pattern forms a cross-linked discrete ring. The steady (H2O)4 is further extended into a cage-like structure by the hydrogen-bonding interaction formed by dissociative aqua molecule and Cl-ligand. The dimer structure is further extended into a one-dimensional (1D) structure through C-H···O interaction. π···π Stacking interaction among adjacent phen aromatic rings further stabilizes the crystal structure.     

Synthesis and Crystal Structure of [Cu(phen)_2(SO_4)(H_2O)]·0.5C_4H_4O_4·7H_2O

1INTRODUCTION The construction of metal-organic coordination polymers based on covalent interactions[1]or supra-molecular contacts such as hydrogen-bonding and/orπ-πinteractions)[2]is now of great interest not only due to the enormous variety of intriguing structural topologies themselves,but also to their unexpected physical and chemical properties for potential prac-tical applications as functional materials.Many N-containing ligands,such as4,4?-bipyridine,2,2?-bi-pyridine and1,10-phen…     

Synthesis and Structure of a Novel Rare Earth Complex: Eu_3(dpa dioxide)_4·(CF_3COO)_5·H_2O

The novel europium complex Eu3(dpa dioxide)4·(CF3COO)5·H2O (dpa dioxide = di-2-pyridylamine N,N'-dioxide) was prepared by the reaction of Eu(CF3CO2)3 with Dpa dioxide in acetonitrile under 95 ℃ and determined by X-ray single-crystal diffraction. The crystal belongs to monoclinic system, space group C2/c with a = 41.632(8), b = 14.662(3), c = 23.300(4) , β = 100.862(5)o, Z = 8, D = 1.775 g/cm3, V = 13968(4) 3, F(000) = 7232, the final R = 0.0464 and wR = 0.1168. In this tri-nuclear complex, each europium(Ⅲ) is nine-coordinated to adopt an unequal sphere geometry.     

Synthesis and Crystal Structure of a Macrocycle [Cu(dadm)(mal)(H_2O)]_2·02H_2O

1 INTRODUCTION Recently the self-assembly through transition metal and N-containing organic ligands has appear- ed as a popular research field in supramolecular architecture. Among the N-donor organic ligands, the rigid ligands have been well investigat…     

Synthesis and Crystal Structure of the Binuclear Complex:[Cu_2(phen)_2(ip)(Hip)_2]·4H_2O

A binuclear complex [Cu2(phen)2(ip)(Hip)2]·4H2O has been synthesized by the reaction of Cu(CH3COO)2·H2O, phen(1,10-phenanthroline) and isophthalic acid (H2ip) under hydrothermal condition. Elemental analysis, IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure. Crystal data for this complex: mono- clinic, space group C2/c, a = 19.214(3), b = 10.6973(14), c = 22.567(3) , β = 105.081(2)°, C24H19N2O8Cu, Mr = 526.95, Z = 8, F(000) = 2160, V = 4478.6(10) 3, Dc = 1.563 g/cm3, μ = 1.030 mm-1, –24≤h≤16, –13≤k≤13, –28≤l≤28, R = 0.0369 and wR = 0.0819 for 4615 (Rint = 1.0357) independent reflections and 3290 observed ones (I > 2σ(I)). Structural analysis shows that coordination geometry of Cu(Ⅱ) is a planar square, and the title complex exhibits a 2-D framework supramolecular structure by hydrogen bonds and π-π stacking interactions.     

Synthesis and Structural Characterization of {[Mn(phen)_2(OAc)(H_2O)]ClO_4}_2H_2O

1 INTRODUCTION Chemistry of manganese cluster has become an attractive research field because of the involvement of manganese in several biological redox-active sys- tems[1,2], especially in the oxygen-evolving complex (OEC) of photosystem Ⅱ (PSⅡ) in green plants[3]. It was thought that the coordination environment of Mn in OEC contains O and N donors, and the bind- ing of aqua to the Mn site may be important to the oxidation of aqua for the evolution of dioxygen[4, 5]. In recent …     

Synthesis,Crystal Structure and Antitumor Activity of Mixed Ligand Coordination Compound of Copper with Norfloxacin and 1,10-Phen,[Cu(NFLX)(phen)(H_2O)] NO_3·3H_2O

Fluoroquinolones are the widely used antibiotics for treating of numerous diseases1-4. Norfloxacin(1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4dihydroquinoline-3-carboxylicacid, NFLX) is a typical member of this family and its metal coordination compounds have also received much more attention5-11. Apart from the synthesis and physicochemical properties of the coordination compounds, their antibacterial properties were also tested7-13, but there was scare report on antitumor properties of th…