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1.
A mixed-valence dinuclear manganese complex, [MnⅡMnⅢL](ClO4)·1/2MeOH, where L is a macrocyclic ligand derived from the cyclocondensation of sodium 2,6-diformyl-4-methylphenolate with N,N-bis(2-aminoethyl)-2-hydroxybenzyl amine, was obtained and its structure was determined by X-ray diffraction. The orange crystal is a monoclinic system with space group P21/c and lattice parameters a=1.1617(4), b=1.4005(3), c=1.4641(3) nm, β=113.03(2)°, and Z=2. The crystal structure shows that each pendant-arm is bonded in a bidentate fashion to the adjacent metal atom and that both the arms are on the same side of the macrocycle. The two Mn atoms are bridged by two μ2-phenoxy oxygen atoms of the tetra-imine macrocycle, and each Mn atom, locating in a trigonal prismatic coordination environment(N3O3), is six-coordinated by the two imine nitrogen atoms, one tertiary nitrogen atom and a pendant phenol moiety apart from the two oxygen atoms.  相似文献   

2.
The crystal and molecular structures of molybdenum complex, Mo [ o- NHCOCH3- m-NO2C6H3COOH]2O2Cl2.PhCl are reported. The crystal belongs to space group Cc of monoclinic system with unit cell parameters:α= 11. 214 (3) A .b= 19. 544 (4 ) A . c = 14. 091 (6) A .β=94.06(3)°,V'=3080.3 A3 and Z=4. The structure was refined to R=0. 061.The coordination number for the Mo atom Is six. The coordination polyhedron formed by four O atoms and two Cl atoms around the Mo atom is a distorted octahedron. Four O atoms and one Mo atom construct a plane. Two benzyl planes in coordinate groups and the benzyl plane of solvent are almost parallel. The quantum-chemical calculations were carried out. There are hydrogen bonds in the Complex. The EHMO calculations and the existence of hydrogen bonds prove that the O atoms are stronger coordinated atoms in the carbonyls than in the carboxyls.  相似文献   

3.
The title compound was synthesized by the reaction of cis-[Co(phen)2Cl2]Cl·3H2O with DL-alanine at pH = 8, and isolated using a column chromatographic method. Its crystal structure was determined. The crystal structure belongs to mono-clinic system, space group P21/c, with a = 0. 9549(6) nm, b=2.3746(8) nm, c= 1.0782(4) nm, β=114.13(3)°? Z = 4, Dc= 1. 50 g/cm3. The final refinement converged to R = 0. 047 for 3246 independent observed reflections. In the octahedral coordination sphere formed by the cobalt atom and the coordinate atoms, N, O of DL-alan-inato ligands are in the configuration of trans-N ,N form.  相似文献   

4.
The title complex, [CaCu(C3H2O4)2(H2O)4]n, with a formula of C6H12CaCuO12 and Mr=379.78 has been sy-nthesized and characterized by single crystal X-ray diffraction structure analysis, elemental analysis, IR spectra and TG-DTG techniques. The results show that the crystal is Orthorhombic, space group Pbcn with a=0.669 21(5) nm, b=1.370 23(5) nm, c=1.322 39(10) nm, V=1.212 59(16) nm3, Dc=2.080 g·cm-3, μ=2.288 mm-1, F(000)=772 and Z=4. The final R=0.054 0 and wR=0.112 8 for 1 189 observed reflections with I>2σ(I). The structure of the title complex consists of CaO8 polyhedra and CuO6 elongated octahedra linked together by malonate ligands. The Ca(Ⅱ) cation, on a twofold axis, is coordinated by two water molecules and six malonate O atoms. The Cu(Ⅱ) cation, which lies in a centre of symmetry in an octahedral arrangement, is coordinated by four malonate O atoms and two water molecules. The structure comprises alternating layers along the [101] plane, with the shortest Cu…Cu distance of 0.762 46(6) nm. The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds. Its thermo gravimetric analysis was determined by TG-DTG techniques. CCDC:663184.  相似文献   

5.
The crystals of alkaloid Dehydrocrydaline chloride (C_(22)H_(24)NO_4·HCl) belong to the orthorhombic system. The space group is D_(2k)~(14)-Pbcn with the unit cell parameters of a=8.528,b=23.317 and c=24.798, and eight molecules per unit cell. The coordinates for all the non-hydrogen atoms were found by using direct methods and Fourier syntheses. During the course of refinement of this structure (using least squares and difference Fouriers), it was discovered that there are 4.5 water molecules with different occupancies in one asymmetric volume of the unit cell. The anisotropic refinement of non-hydrogen atoms and the isotropic refinement of non-aqueous hydrogen atoms led to a final R-factor of 0.053. Water molecules formed a relatively complex network around chloride ion.In this paper the small molecule structure and the network of water molecules are described.  相似文献   

6.
The title compound forms black crystals shaped like pseudo-octahedrons, which belong to the orthorhombic system The space group is Pna 2_1 with unit cell parametrs of a=17.815(1), b=16.629(2), c=12.003(1), and with Z=4, D_(obs)=1.80g·cm~(-3), and D_(calc)=1.804g·cm~(-3). The crystal structure was solved by the heavy atom method and refiened by fullmatrix least-squares to a final conventional R factor of 0.048 for 2584 unique reflections with I≥σ(Ⅰ). The investigation confirms that the crystal structure consists of tetraethylammonium cations and trinuclear Mo cluster anions. The anion is a μ_3-O monocapped trinuclear cluster with an average Mo-Mo bond length of 2.60 (2). On the side of the Mo_3 triangular plane opposite to the μ_3-O atom, each two Mo atoms are bridged by a Cl atom with the result that these seven atoms (3 Me, 1 O and 3 Cl atoms)form an apex-deficient quasicubane configuration. In addition, each Mo atom is coordinated to three additional atoms resulting in a pseudo-octahedral geome  相似文献   

7.
张全争 《无机化学学报》2008,24(7):1168-1171
At room temperature, a coordination polymer [Ni(btec)(H2O)4][Ni(imi)2(H2O)4]·2H2O was synthesized by reaction of NiCl2·6H2O, 1,2,4,5-benzenetetracarboxylic dianhydridc and imidazole in a water/THF solution. The structure was determined by X-ray diffraction crystal structure analysis. It crystallizes in triclinic P1 space group with the crystal cell parameters of a=0.67542 (2) nm, b=1.000 14 (1) nm, c=1.09088 (3) nm, α=74.140(2)°, β= 74.388(1)°, y=73.239(2)°, and V=0.664 09(3) nm3, Z=1. The crystal structure shows that Ni1 atom is coordinated by four water and two imidazole molecules, while Ni2 is coordinated by four water molecules and two carboxyl oxygen atoms. The 1,2,4,5-benzenetetracarboxylate ions bridge Ni2 coordination centers to form one-dimensional chain structure. Moreover, the chains are further linked together by hydrogen bonds to form a two-dimensional network. CCDC: 295873.  相似文献   

8.
七配位K[InⅢ(Hdtpa)]·3.5H2O配合物的合成及结构测定   总被引:10,自引:0,他引:10  
In this paper, the title complex K[InⅢ (Hdtpa)] · 3.5H2O(dtpa=diethylenetriaminepentaacetic acid) was synthesized and its crystal structure was determined by single-crystal X-ray structure analysis.The crystal belongs to monoclinic system, P21/c(No. 14) space group with a= 0. 978 1 (2) nm,b=0. 733 8(1) nm, c=2. 962 9(6) nm, β=91.81(3)°, V=0. 212 6(1) nm3, Z=4, M=606.31, Dx=1.895 g · cm-3, μ=1. 382 1 mm-1, F(000)=1 228, R=0. 035 and Rw=0. 041 for 2 802 unique reflections. The complex anion [InⅢ (Hdtpa)]- has a pseudo-monocapped trigonal prismatic sevencoordination structure in which the seven coordinate atoms, three N and four O atoms, are all from a ligand dtpa. In addition, it can be seen that the complex anion [InⅢ (Hdtpa)]- can furnish a free carboxyl group(-CH2COOH) being used for molecular embellishment to form the target diagnosis- and treat-drug of anticancer.  相似文献   

9.
The crystal structure of .[Et4N][Sm(S2CNEt2)4] was determined by X-ray diffraction technique. The crystal crystallizes in monoclinic system, space group P21/n with a= 1. 1695(3), b=2.0821(6), c=1.7420(7) nm, β=99. 79(3)°? Z=4, Dc= 1. 39 g/ cm3, μ(Mo/KTσ) = 18. 4 cm-1, F(000) = 1812. The structure was solved by Patterson and Fourier techniques and refined by least-squares method to a final conventional R of 0. 053 for 3116 (Ⅰ> 3σ- (Ⅰ)) reflections. Each asymmetric unit contains two ions [Sm (S2CNEt2)4]-1 and [Et4N] +1, having distance between central atoms N5 and Sm3+ to be 0. 6522 nm. The atom Sm is coordinated by eight sulphur atoms. The Sm-S distance lies in the range of 0. 285-0. 290 nm with an average of 0. 288 nm.  相似文献   

10.
A new cadmium complex [Cd(phen)3]·(ClO4)2·(α-FRA)·(H2O)3 was prepared by self-assembly of α-furoic acid, 1,10-phenanthroline (phen), and cadmium perchlorate. It crystal- lizes in the monoclinic system, space group P21/n, with a = 1.28130(15), b = 2.5957(3), c = 1.35449(16) nm, β = 109.395(2)o, V = 4.2492(9) nm3, Dc = 1.491 g/cm3, Z = 4, F(000) = 1926, GOOF = 1.023, the final R = 0.0729 and wR = 0.2086. The crystal structure analysis indicates that the cadmium ion is coordinated with six nitrogen atoms from six 1,10-phenanthroline molecules, giving a distorted octahedral coordination geometry. The cyclic voltametric behavior of the com- plex was also investigated.  相似文献   

11.
The complex Eu(btfa)3 (phen) (btfa=4,4,4‐trifluoro‐1‐phenyl‐1, 3‐butanedione, phen = 1,10‐phenanthroline) has been prepared and characterized by elemental analysis, IR and UV spectroscopies. The crystal and molecular structures of the complex have been determined by X‐ray diffraction analysis. It belongs to the monoclinic crystal system, space group P21/c with a = 0.9700(2) nm, b = 3.7450(5) nm, c = 1.0917(3) nm, β = 92.51(2)°, V = 3.962(1) nm5, Z = 4, Dc = 1.639 g/cm3, μ = 1.676 mm?1, F(000) = 1936, R1, = 0.0388, wR2 = 0.0775. Structure analysis shows that the europium(III) ion is coordinated to six oxygen atoms of β‐diketonate anions and two nitrogen atoms of phenanthroline molecule. The coordination polyhedron is an approximate square antiprism.  相似文献   

12.
The structure of the 2,2′‐bipyridyl adduct poly[(μ2‐2,2′‐bipyridyl‐κ3N ,N ′:N )di‐μ3‐cyanido‐κ6C :N :N‐gold(I)potassium(I)], [AuK(CN)2(C10H8N2)]n , ( 1 ) (space group P 21), has been redetermined [previous determination: Jones et al. (1980). Acta Cryst . B 36 , 160–162]. The bipyridyl ligands coordinate only the potassium ion, which has a coordination sphere consisting of seven N‐atom donors; gold(I) remains in the form of linear dicyanidoaurate(I) ions. The extended structure consists of layers in which the AuI atoms form chains parallel to the short a axis, with Au…Au contacts of 3.7286 (1) Å, whereas the chains of potassium ions, which are also parallel to a , are bridged by bipyridyl and dicyanidoaurate residues. The analogous 1,10‐phenanthroline adduct, namely poly[di‐μ3‐cyanido‐κ6C :N :N‐(μ2‐1,10‐phenanthroline‐κ3N ,N ′:N )gold(I)potassium(I)], [AuK(CN)2(C12H8N2)]n , ( 2 ), crystallizes as nonmerohedral twins in the space group C 2/c . The packing is closely related to that of ( 1 ), but the chains are now parallel to the short b axis and the layers are parallel to (10). The two independent AuI atoms occupy special positions on inversion centres and twofold axes; the Au…Au contacts are 3.6771 (2) Å.  相似文献   

13.
于杰辉  施展等 《中国化学》2002,20(6):560-563
The title compound Cu2Cl2phen (phen = 1,10‐phenanthroline, C12H8N2) 1 was synthesized from CuCl2·2H2O, CuCl and phen by hydrothermal method and its structure was determined by single crystal X‐ray analysis. With phen, CuG forms one‐dimensional chains, which comprise two zigzag chains based on fused Cu‐X units and connected via covalent bonds. The compound contains two crystallographically unique monovalent copper ions, Cu(1) and Cu(2). The Cu(1) atom in the tetrahedral site, is coordinated to two bridging Cl? and two N atoms in phen. The Cu(2) atom with a slightly distorted triangular planar geometry, is coordinated to three Cl?. The compound 1 was crystallized in monoclinic, space group P21/n with a = 0.37338(4), b = 1.9510(2), c = 1.68008(19) nm, β = 95.605 (3)°, R = 0.0458, and was characterized by elemental analysis, IR spectrum and TGA analysis.  相似文献   

14.
A mononuclear iron(II) complex, [Fe(phen)3]Cl2 ( 1 ) (phen =1,10‐phenanthroline), has been synthesized in crystalline phase and characterized using various spectroscopic techniques including single crystal X‐ray diffraction. Crystal structure analysis revealed that 1 crystallizes in a monoclinic system with C2/m space group. Complex 1 acts as a functional model for a biomimetic catalyst promoting the aerobic oxidation of 3,5‐di‐tert ‐butylcatechol (3,5‐DTBC) through radical pathways with a significant turnover number (k cat =3.55 × 103 h−1) and exhibits catechol dioxygenase activity towards the same 3,5‐DTBC substrate at room temperature in oxygen‐saturated ethanol medium. The existence of an isobestic point at 610 nm from spectrophotometric data indicates the presence of Fe3+ −3,5‐DTBC adduct favouring an enzyme–substrate binding phenomenon. Upon stoichiometric addition of 3,5‐DTBC pretreated with two equivalents of triethylamine to the iron complex, two catecholate‐to‐iron(III) ligand‐to‐metal charge transfer bands (575 and 721 nm) are observed and the in situ generated catecholate intermediate reacts with dioxygen (k obs =9.89 × 10−4 min−1) in ethanol medium to afford exclusively intradiol cleavage products along with a small amount of benzoquinone, and a small amount of extradiol cleavage products, which provide substantial evidence for a substrate activation mechanism. Copyright © 2016 John Wiley & Sons, Ltd.  相似文献   

15.
建方方  李艳  王焕香  焦奎 《中国化学》2003,21(10):1320-1324
IntroductionTheincreasingcommercialvalueoftransitionmetalcomplexesofxanthateshasarousedconsiderableinterestintheirchemistry .Whiletheiranalyticalapplicationsarewellknown ,1theyarenowfindingextensiveuseinvulcan izationofrubber ,frothfloatationprocessforconcentrationofsulphideores ,asantioxidants ,lubricants ,2 ,3andhavebeenfoundtopossessfungicidalandinsecticidalactivi ties .4 Recently ,molecularrecognitionbetweenhostandguestmolecules ,inclusionphenomenaandnoncovalentmolecularinteractionarefunda…  相似文献   

16.
The 1:2 adduct lead(II) complexes with 1, 10‐phenanthroline (phen) containing three different anions, [Pb(phen)2(CH3COO)X] (X=NCS, NO3 and ClO4), have been synthesized and characterized by CHN elemental analysis, IR‐, 1H‐ and 13C NMR spectroscopy. The structure of [Pb(phen)2(CH3COO)(ClO4)] was determined by single crystal X‐ray analysis. The Pb atom of the monomeric complex is coordinated by four nitrogen atoms of two 1, 10‐phenanthroline ligands and two oxygen atoms of the acetate ligand to form an irregular octahedron. The arrangement of the 1, 10‐phenanthroline and acetate ligands, exhibits a coordination gap around the PbII ion, possibly occupied by a stereochemical electron active lone pair on lead(II), which results in a hemidirected lead compound. The π‐π stacking interaction between the parallel aromatic rings may help to increase the coordination ‘gap’ around the PbII ion.  相似文献   

17.
A Tri‐µ‐O‐S‐O coordinative manganese dimer: [Mn2(SO4)2(phen)4]·CH3OH (phen1,10‐phenanthroline) ( 1 ) was yielded by the reaction of 1,10‐phenanthroline and MnSO4·H2O in a mixed solvent of methanol and acetonitrile under room temperature and was structurally characterized. Single crystal analysis shows that complex 1 has polymeric structure based on binuclear Mn(II) units bridged by O‐S‐O groups of two SO42− anion. The UV spectrum of the complex clarifies that each metal‐organic building unit parallels with each other through the Π‐Π interactions of face‐to‐face separations of two 1,10‐phen planes among the complex, forming a layered structure. And the electronic paramagnetic resonance (EPR) signal clearly indicates that those manganese atoms in complex 1 are in +2 oxidation states.  相似文献   

18.
The title compound, [Co(C19H15N3O5S)(C12H8N2)]·5H2O, has a moderately distorted octahedral coordination environment composed of two N atoms of a 1,10‐phenanthroline ligand and one N and three O atoms of an N‐{[4‐(1,3‐benzothiazol‐2‐yl)anilino]carbonylmethyl}iminodiacetate (ZL‐52−) ligand. The ring systems of the phenanthroline and ZL‐52− ligands are coplanar and the complexes pack in layers parallel to the ab plane with the rings of adjacent complexes facing one another. The layers stack along the c axis and are linked by hydrogen bonds involving the five water solvent molecules in the asymmetric unit and O atoms of the acetate groups of the ZL‐52− ligand. This is believed to be the first crystal structure of a complex of a 2‐(4‐aminophenyl)benzothiazole ligand.  相似文献   

19.
Two rare metal coordination complexes of yttrium(III) including 1,10‐phenanthroline, Y(phen)2(NO3)3 and (phenH)2[Y2(pydc)3(NO3)2·6H2O] (phen=1,10‐phenanthroline, pydc=2,6‐pyridinedicarboxylate), and a proton transfer compound (phenH+)2(pydc2?) were synthesized and characterized by elemental analysis, molar conductance, infrared spectra (IR), nuclear magnetic resonance (NMR) and thermal analysis. The proposed structures of yttrium complexes were exhibited. The in vitro biological activities of the newly synthesized complexes have also been investigated against Bacillus coli, Staphylococcus aureus and Candida albicans. The results showed that yttrium(III) complexes including 1,10‐phenanthroline exhibited better antibacterial/antifungal activity than their ligands and corresponding compounds.  相似文献   

20.
袁洋  王琼生  王世铭 《无机化学学报》2010,26(11):2105-2108
<正>0引言多酸盐是一大类多核配合物[1],具有丰富的拓扑结构、氧化还原化学及光化学方面等多样性的特点,已成为目前研究的热点领域之一。多酸具有较强的接受电子的能力,是一类优良的电子受体,它可以与无机分子、有机分子、离子等结合成结构新颖、性能独特的配位化合物[2-10]。利用有机分子和多金属氧酸盐作为基本单元,合成具有高维超分子网络结构的有机-无机杂化材料一直备受人们关注[11-14],该类化合物在主客体化学、催化、医药以及  相似文献   

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