A three-dimensional cadmium coordination polymer based on 1,4-bis(1,2,4-triazol-1-yl)but-2-ene and benzene-1,3,5-tricarboxylic acid

2017 ◽  
Vol 73 (9) ◽  
pp. 749-753 ◽  
Author(s):  
Qian-Kun Zhou ◽  
Ni-Ya Li
Keyword(s):  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Bulk Sample ◽  
Tricarboxylic Acid ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Water ◽  
Trigonal Bipyramidal ◽  
Photoluminescence Studies ◽  
Distorted Trigonal Bipyramidal

The CdII three-dimensional coordination poly[[[μ4-1,4-bis(1,2,4-triazol-1-yl)but-2-ene]bis(μ3-5-carboxybenzene-1,3-dicarboxylato)dicadmium(II)] dihydrate], {[Cd2(C9H4O6)2(C8H10N6)]·2H2O} n , (I), has been synthesized by the hydrothermal reaction of Cd(NO3)2·4H2O, benzene-1,3,5-tricarboxylic acid (1,3,5-H3BTC) and 1,4-bis(1,2,4-triazol-1-yl)but-2-ene (1,4-btbe). The IR spectrum suggests the presence of protonated carboxylic acid, deprotonated carboxylate and triazolyl groups. The purity of the bulk sample was confirmed by elemental analysis and X-ray powder diffraction. Single-crystal X-ray diffraction analysis reveals that the CdII ions adopt a five-coordinated distorted trigonal–bipyramidal geometry, coordinated by three O atoms from three different 1,3,5-HBTC2− ligands and two N atoms from two different 1,4-btbe ligands; the latter are situated on centres of inversion. The CdII centres are bridged by 1,3,5-HBTC2− and 1,4-btbe ligands into an overall three-dimensional framework. When the CdII centres and the tetradentate 1,4-btbe ligands are regarded as nodes, the three-dimensional topology can be simplified as a binodal 4,6-connected network. Thermogravimetric analysis confirms the presence of lattice water in (I). Photoluminescence studies imply that the emission of (I) may be ascribed to intraligand fluorescence.

Synthesis and Characterization of Cadmium and Mercury Saccharinate Complexes with 2-Dimethylaminoethanol: cis-[Cd(sac)2(dmea)2] and [Hg(sac)2(dmea)(H2O)]

2006 ◽  
Vol 61 (5) ◽  
pp. 555-559 ◽  
Author(s):  
Veysel T. Yilmaz ◽  
Vecdi Kars ◽  
Canan Kazak
Keyword(s):  
Three Dimensional ◽  
Carbonyl Oxygen ◽  
Supramolecular Network ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The new cadmium and mercury saccharinate (sac) complexes, cis-[Cd(sac)2(dmea)2] (1) and [Hg(sac)2(dmea)(H2O)] (2) (dmea = 2-dimethylaminoethanol), have been prepared and characterized by elemental analysis, IR spectroscopy, thermal analysis and single crystal X-ray diffraction. In complex 1, the cadmium(II) ion is coordinated by two neutral dmea ligands and two sac anions in a distorted octahedral CdN3O3 coordination geometry. The dmea ligand acts as a bidentate N, O chelate, while the sac ligands behave as an ambidentate ligands. One of them coordinates to the cadmium(II) ion through the carbonyl oxygen atom, while the other is N-bonded. In complex 2, the mercury(II) ion is coordinated by an aqua ligand, a chelating dmea ligand and two N-bonded sac ligands, forming a distorted trigonal bipyramidal coordination HgN3O2. The molecules interact with each other through O-H···O hydrogen bonds and aromatic π(sac)···π(sac) stacking interactions, leading to a three-dimensional supramolecular network.

Crystal and molecular structure of diorganoammonium oxalatotrimethylstannate, [R2NH2][Me3Sn(C2O4)] (R=i-Bu, cyclohexyl)

2011 ◽  
Vol 34 (5-6) ◽  
pp. 127-130 ◽  
Author(s):  
Yaya Sow ◽  
Libasse Diop ◽  
Kieran C. Molloy ◽  
Gabrielle Kociok-Köhn
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Diffraction Study ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Trans Complex ◽  
A Chain ◽  
Distorted Trigonal Bipyramidal

Abstract The title compounds [R2NH2][C2O4SnMe3](R=i-Bu, Cy), in which tin atoms adopt a distorted trigonal bipyramidal configuration, have been prepared and submitted to an X-ray diffraction study. These compounds have been obtained from the reaction of (Cy2NH2)2C2O4·H2O or (i-Bu2NH2)2C2O4 with SnMe3Cl. In both [R2NH2][C2O4SnMe3] compounds, the trans complex has an almost regular trigonal bipyramidal geometry around the tin atom. The SnMe3 residues are connected as a chain with bridging oxalate anions in a trans-SnC3O2 framework, the oxygen atoms being in axial positions. The cations connect linear adjacent chains through NH…O hydrogen bonds giving layered structures.

scholarly journals Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data

2021 ◽  
Vol 77 (6) ◽  
pp. 588-591
Author(s):  
Stephanie J. Hong ◽  
Jun Li ◽  
Mas A. Subramanian
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Atomic Ratio ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Wyckoff Position ◽  
Distorted Trigonal Bipyramidal

The crystal structure of magnesium zinc divanadate, MgZnV2O7, was determined and refined from laboratory X-ray powder diffraction data. The title compound was synthesized by a solid-state reaction at 1023 K in air. The crystal structure is isotypic with Mn0.6Zn1.4V2O7 (C2/m; Z = 6) and is related to the crystal structure of thortveitite. The asymmetric unit contains two metal sites with statistically distributed magnesium and zinc atoms with the atomic ratio close to 1:1. One (Mg/Zn) metal site (M1) is located on Wyckoff position 8j and the other (M2) on 4h. Three V sites (all on 4i), and eight O (three 8j, four 4i, and one 2b) sites complete the asymmetric unit. The structure is an alternate stacking of V2O7 layers and (Mg/Zn) atom layers along [20\overline{1}]. It is distinct from other related structures in that each V2O7 layer consists of two groups: a V2O7 dimer and a V4O14 tetramer. Mixed-occupied M1 and M2 are coordinated by oxygen atoms in distorted trigonal bipyramidal and octahedral sites, respectively.

Die neuen Oxobismutate(III) Cs6Bi4O9, K9Bi5O13 und A2Bi4O7 (A = Rb, Cs) / The New Oxobismutates(III) Cs6Bi4O9, K9Bi5O13 and A2Bi4O7 (A = Rb, Cs)

2002 ◽  
Vol 57 (10) ◽  
pp. 1090-1100
Author(s):  
Franziska Emmerling ◽  
Caroline Röhr
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Alkali Metals ◽  
Mixed Valence ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Mixed Valence Compound

AbstractThe title compounds were synthesized at a temperature of 700 °C via oxidation of elemental Bi with the hyperoxides AO2 or via reaction of the elemental alkali metals A with Bi2O3. Their crystal structures have been determined by single crystal x-ray diffraction. They are dominated by two possible surroundings of Bi by O, the ψ-trigonal-bipyramidal three (B) and the ψ-tetrahedral four (T) coordination. Cs6Bi4O9 (triclinic, spacegroup P1̄, a = 813.82(12), b = 991.60(14), c = 1213.83(18) pm, α = 103.658(2), β = 93.694(3), γ = 91.662(3)°, Z = 2) contains centrosymmetric chain segmentes [Bi8O18]12- with six three- (T) and two four-coordinated (B) Bi(III) centers. K9Bi5O13 (monoclinic, spacegroup P21/c, a = 1510.98(14), b = 567.59(5), c = 2685.6(2) pm, β = 111.190(2)°, Z = 4) is a mixed valence compound with isolated [BivO4]3- tetrahedra and chains [BiIII4O9]6- of two T and two B coordinated Bi. In the compounds A2Bi4O7 (A = Rb/Cs: monoclinic, C2/c, a = 2037.0(3) / 2130.6(12), b = 1285.5(2) / 1301.9(7), c = 1566.6(2) / 1605.6(9) pm, β = 94.783(3) / 95.725(9)°, Z = 8) ribbons [Bi4O6O2/2]2- are formed, which are condensed to form a three-dimensional framework.

The modulated structure of the calcium aluminate Ca6(AlO2)12·Bi2O3

2010 ◽  
Vol 66 (6) ◽  
pp. 585-593 ◽  
Author(s):  
O. Pérez ◽  
S. Malo ◽  
M. Hervieu
Keyword(s):  
Single Crystal ◽  
Calcium Aluminate ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Electron Pairs ◽  
Modulated Structure ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Superspace Formalism ◽  
Single Crystal Analysis

Bismuth calcium aluminate, Bi2Ca6Al12O27, has been prepared as a ceramic and a single crystal. Analysis of reciprocal space using both electron and X-ray diffraction show an R-centred hexagonal unit cell: a = b = 17.3892 (4), c = 6.986 (1) Å. Additional weak reflections are observed; they require the introduction of a modulation wavevector q = 0.0453 (2)c* for indexing. The modulated structure has been solved using the superspace formalism [superspace group X\overline{3}(00\gamma)0]. A framework of corner-sharing AlO4 tetrahedra forms corrugated sixfold rings and uncommon triple rings. The Ca2+ cations exhibit an eightfold coordination sphere; edge-sharing CaO8 polyhedra form intertwinned zigzagging rows along c creating a three-dimensional net. Bi atoms are located in large hexagonal tunnels parallel to c and form Bi2O3 pairs, which adopt a trigonal bipyramidal configuration. The 6s 2 lone-electron pairs (Lp) point along c, in the opposite direction to the three Bi—O strong bonds to form two BiO3Lp tetrahedra with a common base. Different orientations of the Bi2O3Lp2 pairs, rotated by 60° around c, are observed. Their stacking modes in each of the hexagonal tunnels are described. The sequence of the stacking varies along c in each of the tunnels.

An Intermediate in the Conversion of an Acetylene to a Vinyl Derivative: The Crystal and Molecular Structure of trans-Chloromethylbis(trimethylarsine)-platinum(II) Hexafluorobut-2-yne

1972 ◽  
Vol 50 (14) ◽  
pp. 2276-2284 ◽  
Author(s):  
Brian W. Davies ◽  
Richard J. Puddephatt ◽  
Nicholas C. Payne
Keyword(s):  
Molecular Structure ◽  
Bond Length ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Free Ligand ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Monodentate Ligand ◽  
X Ray ◽  
Trigonal Bipyramidal

The crystal and molecular structure of trans-chloromethylbis(trimethylarsine)platinum(II) hexafluorobut-2-yne has been determined from three dimensional X-ray diffraction data recorded by diffractometric methods. The structure has been refined by full-matrix least-squares methods on F using 1156 reflections to an agreement factor R = 0.077. The crystals are monoclinic, space group [Formula: see text] with a = 6.803(8), b = 14.93(2), c = 20.20(2) Å, β = 104.9(1)°, and Z = 4. The coordination of the platinum atom is trigonal bipyramidal, with the acetylene considered a monodentate ligand, and the two trimethylarsine ligands occupying the equatorial plane. The chlorine atom and the methyl ligand occupy the apical positions, with Pt—Cl and Pt—C distances of 2.47(1) Å and 2.10(4) Å, respectively. The long Pt—Cl bond length indicates the strong trans-influence of the methyl ligand. The observed C—C bond length of 1.32(4) Å in the acetylene ligand is lengthened from the value of 1.22(9) Å measured in the free ligand. The geometry of the coordinated ligand is discussed in terms of the bonding scheme proposed by Greaves etal.

scholarly journals Synthesis and characterization of novel coumarin-based terpyridine ligands and their Zn(II) complexes

2020 ◽  
Vol 44 (11-12) ◽  
pp. 721-726
Author(s):  
Xiaolong Wang ◽  
Xian Yue ◽  
Long Deng
Keyword(s):  
Solvothermal Method ◽  
Emission Spectra ◽  
Synthesis And Characterization ◽  
Spectroscopic Methods ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Terpyridine Ligands ◽  
Distorted Trigonal Bipyramidal

Two novel mononuclear Zn(II) complexes, [ZnL1Cl2] (1) (L1=( E)-3-(4-(2,2′:6′,2″-tripyridyl)-4′-styryl)-7-diethylaminocoumarin) and [ZnL2Cl2] (2) (L2=3-(4-(2,2′:6′,2″-tripyridyl)-4′-phenylimine)-7-diethylaminocoumarin), were obtained by the solvothermal method from ZnCl2 and coumarin-based terpyridine ligands. The complexes were characterized by spectroscopic methods and single-crystal X-ray diffraction. The Zn2+ in the complexes is coordinated by three nitrogen atoms of the terpyridine ligand and two chloride anions, forming a distorted trigonal bipyramidal environment. Moreover, the UV–Vis absorption and emission spectra of the ligands and complexes in diluted dichloromethane solutions were measured.

A samarium hybrid with porphyrin and amino acid as mixed ligands: Electrochemical and photophysical properties

2015 ◽  
Vol 19 (10) ◽  
pp. 1140-1146 ◽  
Author(s):  
Yun-Peng Pei ◽  
Jian-Gen Huang ◽  
Hua-Long Chen ◽  
Han-Mao Kuang ◽  
Jie Zhou ◽  
...  
Keyword(s):  
Amino Acid ◽  
Hydrothermal Reaction ◽  
Photophysical Properties ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mixed Ligands ◽  
Porphyrin Macrocycle ◽  
Ft Ir ◽  
Emission Quantum Yield

A samarium hybrid with porphyrin and amino acid as mixed ligands {[Sm(His)(H2O)][Sm(H3O)3](H2TPPS)2} • 5H2O (1) (His = histidine; H6TPPS = tetra(4-sulfonatophenyl)porphyrin) has been synthesized via a hydrothermal reaction and characterized by single-crystal X-ray diffraction. Compound 1is crystallized in the space group [Formula: see text] of the triclinic system. Compound 1is characteristic of a three-dimensional (3-D) open framework with the samarium ions in two types of coordinating environments and a saddle-distorted nonplanar porphyrin macrocycle. Compound 1 exhibits fluorescence in the red region. The fluorescence lifetime of 1 is 15.65 ns and the emission quantum yield is 4.1%. The CV/DPV, UV-vis and FT-IR are also reported in detail.

Synthesis, structural characterization, and properties of Co(II) and Zn(II) complexes with a mixed N- and O-donor ligand

2019 ◽  
Vol 74 (5) ◽  
pp. 415-420
Author(s):  
Hai-Wei Kuai ◽  
Tao Hu ◽  
Ding-Yun Jiang ◽  
Yun-Hua Qian
Keyword(s):  
Infrared Spectroscopy ◽  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Reaction System ◽  
Isophthalic Acid ◽  
Auxiliary Ligand ◽  
X Ray Diffraction ◽  
Donor Ligand ◽  
X Ray ◽  
Mononuclear Structure

AbstractThe hydrothermal reaction of Co(II) nitrate with 5-(pyridin-4-yl)isophthalic acid (H2L) yields a new complex [Co(L)(H2O)5] · 4(H2O) (1). When 4,4′-bipyridine (bpy) as auxiliary ligand and Zn(II) nitrate were used in the same reaction system, [Zn(L)(bpy)] · 0.5(DMF) · 0.5(H2O) (2) could be obtained. Complexes 1 and 2 have been characterized by single-crystal X-ray diffraction, infrared spectroscopy, and elemental and thermogravimetric analyses. Complex 1 displays a discrete mononuclear structure, whereas 2 exhibits a binodal (3,5)-connected twofold interpenetrated three-dimensional hms framework architecture with (63)(69,8) topology. The fluorescence properties of 2 were also investigated.

Isostructural organic–inorganic hybrid compounds: triethylcholine tribromidocadmate and triethylcholine tribromidomercurate

2015 ◽  
Vol 71 (8) ◽  
pp. 728-732
Author(s):  
Dong-Yan Wang ◽  
Xue-Li Hou ◽  
Xue-Nan Li
Keyword(s):  
Hydrogen Bonding ◽  
Hybrid Materials ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
One Dimensional ◽  
X Ray ◽  
Hybrid Compounds ◽  
Trigonal Bipyramidal ◽  
Hydrogen Bonding Interactions ◽  
Distorted Trigonal Bipyramidal

In order to search for new anionic architectures and develop useful organic–inorganic hybrid materials in halometallate systems, two new crystalline organic–inorganic hybrid compounds have been prepared,i.e. catena-poly[triethyl(2-hydroxyethyl)azanium [[bromidocadmate(II)]-di-μ-bromido]], {(C8H20NO)[CdBr3]}n, (1), andcatena-poly[triethyl(2-hydroxyethyl)azanium [[bromidomercurate(II)]-di-μ-bromido]], {(C8H20NO)[HgBr3]}n, (2), and the structures determined by X-ray diffraction analysis. The compounds are isostructural, crystallizing in the space groupP21/n. The metal centres are five-coordinated by bromide anions, giving a slightly distorted trigonal–bipyramidal geometry. The crystal structures consist of one-dimensional edge-sharing chains ofMBr5trigonal bipyramids, between which triethylcholine counter-cations are intercalated. O—H...Br hydrogen-bonding interactions are present between the cations and anions.

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