The Preparation and Crystal Structure of a Unique Bismuth Complex with Ethylene Glycol: the Tris[ethane-1,2-diolato(2 - )]dibismuth(III) Polymer Hydrate

1997 ◽  
Vol 50 (9) ◽  
pp. 947 ◽  
Author(s):  
Brett A. Cloutt ◽  
Dalius S. Sagatys ◽  
Graham Smith ◽  
Raymond C. Bott
Keyword(s):  
Ethylene Glycol ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Bismuth Complex ◽  
A Cell ◽  
Polymer Framework

A novel efflorescent complex of bismuth(III) with ethylene glycol has been synthesized, and its structure determined by single-crystal X-ray diffraction and refined to a residual R 0·055 for 1811 observed reflections. Crystals are triclinic, space group P-1, with two dimers forming the asymmetric unit in a cell with dimensions a 8·885(3), b 10·796(4), c 7·586(3) Å, α 93·19(3), β 106·61(3), γ 105·72(3)°. The [Bi2(C2H4O2)3] dimer unit, which comprises two different bismuth centres, one five-, the other six-coordinate, is extended into a stable three-dimensional polymer framework via associations through all three ethane-1,2-diolato(2– ) ligands which are bidentate and, in most cases, bridging. The lattice also contains weakly associated but uncoordinated molecules of hydration which are considered responsible for the crystal instability.

The crystal structure of a dithiophosphate-bridged binuclear cobalt(II) complex of a macrocyclic ligand

1981 ◽  
Vol 34 (1) ◽  
pp. 65 ◽  
Author(s):  
GA Williams ◽  
R Robson
Keyword(s):  
Crystal And Molecular Structure ◽  
Macrocyclic Ligand ◽  
Cobalt Atom ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Axial Ligands ◽  
Octahedral Environment ◽  
Metal Atoms ◽  
A Cell

The crystal and molecular structure of LCO2 [S2P(OEt)2]2 (where L is a binucleating ligand derived from the macrocycle LH2 formed by condensation of two molecules each of propane-1,3-diamine and 2-hydroxy-5-methylisophthalaldehyde) has been determined by single-crystal X-ray diffraction techniques at 295 K. The compound crystallizes in the triclinic space group Pī with two molecules in a cell of dimensions a 18.644(6), b 11.694(4), c 9.487(4) �, α 84.99(3), β 82.61(3), γ 73.48(2)�. Automatic diffractometry has provided significant Bragg intensities for 2799 independent reflections and the structure has been refined by least-squares methods to R 0.054. The structure is molecular, consisting of discrete binuclear units LCo2[S2P(OEt)2]2. The two centrosymmetric molecules in the unit cell are crystallographically unique but essentially chemically similar. The two cobalt(11) atoms in each molecule are separated by 3.075(2) and 3.072(2) �. Each cobalt atom is in an octahedral environment, with an N2O2 equatorial plane and two sulfur atoms of bridging dithiophosphate ligands in the axial positions. The Co-S bonds are the longest yet observed [2,680(3), 2.652(3), 2.642(3), 2.623(3) �]. The cobalt(11) centres are high spin, with �eff 4.53 BM per cobalt atom. The macrocyclic ligand deviates slightly from planarity. The forces exerted both by the ligand L on associated metal atoms, and by axial ligands on the macrocycle, are discussed.

Synthesis, spectroscopic and structural analysis of a melamine copper complex

2014 ◽  
Vol 70 (a1) ◽  
pp. C1239-C1239
Author(s):  
Amani Direm ◽  
Noureddine Dadda ◽  
Wahiba Falek ◽  
Zina Boutobba ◽  
Nourredine Benali-Cherif
Keyword(s):  
Structural Analysis ◽  
Copper Complex ◽  
Structural Investigation ◽  
Three Dimensional ◽  
Building Blocks ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Supramolecular Architectures ◽  
Carboxylic Anions

Owing to its multiple sites acting as H-bonds' donors, melamine and its derivatives are considered as excellent building blocks for the construction of various crystalline supramolecular architectures based on phosphate, sulfate, chloride and carboxylic anions [1-10] on one hand and chlorometallate anions on the other hand [11-13]. In our contribution, we will discuss the synthesis, FTIR spectra and the structural investigation using the single crystal X-ray diffraction of (H2Melamine) [CuCl5]Cl, (I). The structural analysis of (I) revealed that it consists of alternating negative and positive layers running through the a-axis direction. The negative layers are built up of alternatively CuCl53- and discrete non-coordination Cl- anions, whereas the positive sheets are formed of [H2melamine2+]2 Hydrogen-bonded dimers. The N-H...N and N-H...Cl interactions are assembled to build three-dimensional H-bond patterns which insure the cohesion within the lattice (Fig. 01). A previous work showed that (I) exhibits antiferromagnetic properties [14]

A twofold interpenetrating three-dimensional CdIIcoordination framework: poly[[μ2-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene](μ3-5-nitrobenzene-1,3-dicarboxylato)cadmium(II)]

2014 ◽  
Vol 70 (12) ◽  
pp. 1138-1142 ◽  
Author(s):  
Le Li ◽  
Jian-Qing Tao
Keyword(s):  
Thermal Analysis ◽  
Solid State ◽  
Ir Spectroscopy ◽  
Room Temperature ◽  
Three Dimensional ◽  
Pentagonal Bipyramid ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Framework

A twofold interpenetrating three-dimensional CdIIcoordination framework, [Cd(C8H3NO6)(C14H14N4)]n, has been prepared and characterized by IR spectroscopy, elemental analysis, thermal analysis and single-crystal X-ray diffraction. The asymmetric unit consists of a divalent CdIIatom, one 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene (1,3-BMIB) ligand and one fully deprotonated 5-nitrobenzene-1,3-dicarboxylate (NO2-BDC2−) ligand. The coordination sphere of the CdIIatom consists of five O-donor atoms from three different NO2-BDC2−ligands and two imidazole N-donor atoms from two different 1,3-BMIB ligands, forming a distorted {CdN2O5} pentagonal bipyramid. The NO2-BDC ligand links three CdIIatomsviaa μ1-η1:η1chelating mode and a μ2-η2:η1bridging mode. The title compound is a twofold interpenetrating 3,5-connected network with the {42.65.83}{42.6} topology. In addition, the compound exhibits fluorescence emissions in the solid state at room temperature.

The preparation of thiolato bridged platinum dimers; the crystal and molecular structure of cis-μμ′-bis(phenylmethanethiolato)bis(phenylmethanethiolatomethyldiphenylphos- phineplatinum(II)), cis-[(PMePh2)Pt(SCH2Ph)(μ-SCH2Ph)]2

1982 ◽  
Vol 60 (16) ◽  
pp. 2075-2081 ◽  
Author(s):  
Peter H. Bird ◽  
Upali Siriwardane ◽  
Rabin D. Lai ◽  
Alan Shaver
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Dihedral Angle ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Triclinic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
A Cell ◽  
Facile Route

Fusion invacuo of complexes of the type P2Pt(SR)2 is a facile route to dimers of the type [PPt(SR)(μ-SR)]2; thus, the compounds cis-P2Pt(SR)2, where P = PPh3, PMePh2, R = CH2Ph and trans-P2Pt(SR)2, where P = PPh3, PMePh2, PMe2Ph, R = 4-C6H4CH3 gave the appropriate dimers 1–5. A three-dimensional X-ray structure analysis of the complex [(PMePh2)Pt(SCH2Ph)(μ-SCH2Ph)]2, 2, has shown that it has cis geometry with the benzyl groups of the bridging thiolato ligands oriented anti with respect to each other. The dihedral angle between the two square planes is 138.8°. Crystals of 2 are triclinic, space group [Formula: see text], with two molecules in a cell of dimensions a = 10.856(3) Å, b = 19.935(5) Å, c = 12.202(4) Å, α = 82.52(2)°, β = 105.18(2)°, and γ = 92.35(2)°. Full-matrix least-squares refinement converged at R = 0.052.

scholarly journals Two New Supramolecular Assemblies Obtained by Reaction Between Saccharin and Long-chain Diamines

2009 ◽  
Vol 64 (9) ◽  
pp. 1041-1045
Author(s):  
Eduardo E Castellano ◽  
Oscar E. Piro ◽  
Beatriz S. Parajón-Costa ◽  
Enrique J. Baran
Keyword(s):  
Three Dimensional ◽  
Supramolecular Assembly ◽  
Monoclinic Space Group ◽  
Ionic Crystals ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Anions And Cations ◽  
Bonding Characteristics

The crystal structures of heptamethylenediammonium bis(saccharinate) monohydrate, [H3N - (CH2)7 -NH3](sac)2・H2O (1) and octamethylenediammonium bis(saccharinate) hemihydrate, [H3N- (CH2)8-NH3](sac)2・0.5H2O (2), were determined by single-crystal X-ray diffraction methods. Compound 1 crystallizes in the triclinic space group P1̄ with 2 molecules per unit cell, and 2 in the monoclinic space group P21/a with Z = 4. The saccharinate moiety is planar in both compounds presenting bonding characteristics comparable to those found in other saccharinate salts. The ionic crystals are further stabilized by an extensive H-bonding network, which links the anions and cations into an infinite three-dimensional supramolecular assembly. The FTIR spectra of the adducts are briefly discussed in comparison with those of the constituent molecules.

A new ZnII coordination polymer based on 4-(pyridin-4-yl)benzoic and formic acids: in-situ synthesis, crystal structure and luminescence properties

2018 ◽  
Vol 74 (10) ◽  
pp. 1133-1137 ◽  
Author(s):  
Fuming Luo ◽  
Guodong Tang ◽  
Jinfang Zhang
Keyword(s):  
Three Dimensional ◽  
Luminescence Properties ◽  
Supramolecular Framework ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Structural Units ◽  
X Ray ◽  
Layer Structures ◽  
State Luminescence

The title compound, poly[(μ2-formato-κ3 O,O′:O)[μ2-4-(pyridin-4-yl)benzoato-κ3 N:O,O′]zinc(II)], [Zn(C12H8NO2)(HCOO)] n , has been synthesized in situ and characterized by thermogravimetric analysis (TGA) and single-crystal and powder X-ray diffraction analyses. The polymer contains two independent structural units in the asymmetric unit. These are constructed from Zn2+ ions, 4-(pyridin-4-yl)benzoate (4-pbc) bridges and in-situ-generated formate ligands, forming two similar two-dimensional (2D) layer structures. These similar 2D layers are arranged alternately and are linked with each other by dense C—H...O hydrogen bonds to generate a three-dimensional (3D) supramolecular framework. The crystal is pseudomerohedrally twinned about [201]. Compared with free 4-Hpbc, the polymer exhibits a red shift and significantly enhanced solid-state luminescence properties.

Crystal and molecular structure of Octacarbonylbis(diphenylarsino)-methanedimanganese(0)

1983 ◽  
Vol 36 (4) ◽  
pp. 683 ◽  
Author(s):  
BF Hoskins ◽  
RJ Steen
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Parent Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Fourier Methods ◽  
X Ray

The crystal structure of the complex Mn2(CO)8(dam) (dam = Ph2AsCH2AsPh2) has been determined by three-dimensional X-ray diffraction methods. The crystals are triclinic, space group P1, with a 11.191(1), b 16.498(5), c 9.455(1) �, a 93.64(2), β 109.08(2), γ 89.36(2)� and contain two discrete, binuclear molecules of Mn2(CO)8(dam) per unit cell. The structure, solved by direct and Fourier methods, was refined by a least-squares procedure to R and Rw of 0.065 and 0.082 respectively for 1907 independent, statistically significant reflections collected by counter methods. The feature of particular interest in this compound is the accommodation of the bridging bidentate dam ligand [As.. .As separation 3.242(2) �] across a shorter Mn�-Mn� bond [2.962(3) �] which constrains the molecule so that a much less staggered configuration of the two manganese coordination octahedra is observed relative to the parent compound Mn2(CO)10, the rotation of the two equatorial planes in the former being 30�.

Crystal Structure of the Pyridinium Salt of the Polymeric Tris(thiocyanato)dicuprate(I) Anion

1979 ◽  
Vol 32 (12) ◽  
pp. 2757 ◽  
Author(s):  
CL Raston ◽  
B Walter ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystal ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyridinium Salt ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

The title compound, [C5H6N]+ [Cu2(SCN)3]-, has been prepared and its crystal structure determined by single-crystal X-ray diffraction at 295(1) K. Crystals are monoclinic, Cc, a 11.238(7), b 11.644(4), c 10.020(4)Ǻ, β 102.67(3)°, Z 4, the structure being refined to a residual of 0.037 for the 960 'observed' reflections. The structure comprises a three-dimensional network of copper(I) atoms linked by bridging thiocyanate groups, the pyridinium counterions occupying sites in the network cavities. Both copper atoms are four-coordinate, one having an environment of one nitrogen atom [Cu-N, 1.926(9)Ǻ] and three sulfur atoms [Cu-S, 2.319(3), 2.421(3), 2.448(3)Ǻ], while the other is coordinated by two atoms of each type [Cu-N, 1.935(9), 1.947(10); Cu-S, 2.430(3), 2.493(4) Ǻ].

Über zwei Modifikationen von "Tl2Cl3"-valenzgemischten Thallium(I)-hexahalogenothallaten(III) Tl3 [TlCl6] / On Two Modifications of "Tl2Cl3"-Mixed Valence Thallium(I)-hexahalogenothallates(III)

1980 ◽  
Vol 35 (11) ◽  
pp. 1366-1372 ◽  
Author(s):  
Reinhild Böhme ◽  
Jörg Rath ◽  
Bernd Grunwald ◽  
Gerhard Thiele
Keyword(s):  
Crystal Structure ◽  
Raman Spectra ◽  
Diffraction Data ◽  
Mixed Valence ◽  
Three Dimensional ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters ◽  
Thallium Chloride

The mixed valence thallium chloride "Tl2Cl3" is polymorphous. Raman spectra and comparable lattice translations suggest similar structures of both modifications. The crystal structure of the rhombic α-Tl2Cl3 crystallizing in yellow, needle-shaped crystals, has been determined from three-dimensional X-ray diffraction data. The unit cell with cell parameters a= 1474.8(5) pm, b - 2508.7(6) pm and c = 1267.6(2) pm contains 16 formula units distributed on 24 independent atom positions. The compound is a mixed valence thallium(I)-hexachlorothallate(III) Tl3[TlCl6] because three of the nine independent Tl atoms are surrounded octahedrally by CI atoms in distances of 250-265 pm, while the other Tl atoms have seven, eight or nine CI neighbours variing between 306 and 383 pm.β-Tl3[TlCl6] forms pale yellow thin platelets and crystallizes monoclinic with cell parameters a = 2549.4(13) pm, 6 = 1469.9(8) pm, c = 1308.5(12) pm and β = 108.58°.

Metal complexes of dicamba: the crystal and molecular structures of dicamba(3,6-Dichloro-2-methoxybenzoic acid) and catena-μ-Aqua-diaquabis(3,6-dichloro-2-methoxybenzoato)zinc(II) dihydrate

1983 ◽  
Vol 36 (11) ◽  
pp. 2175 ◽  
Author(s):  
G Smith ◽  
EJ O'Reilly ◽  
CHL Kennard
Keyword(s):  
Molecular Structures ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bridging Ligand ◽  
Methoxy Groups ◽  
A Cell ◽  
Methoxybenzoic Acid

The crystal structures of the herbicide, dicamba (3,6-dichloro-2-methoxybenzoic acid) and the zinc(II) complex of this acid, {[Zn(dicamba)2(H2O)3].2H2O}}n (1), have been determined from X-ray diffraction data and refined by least squares to final residuals of 0.034 and 0.043 respectively. Dicamba is triclinic, space group P1, Z 2 with a cell a 7.232(1), b 7.971(1), c 9.050(3) �, α 102.76(3), β 91.33(3), γ 110.38(1)�, while (1) is monoclinic, space group P21/n, Z 4 with a cell a 10.467(1), b 8.135(3), c 28.079(2) �, β 96.497(7)�. Dicamba forms hydrogen-bonded cyclic dimers [O---O, 2.655(7) �] with the carboxyl and the methoxy groups synclinal to the benzene ring. The dicamba ligands retain their conformation in the ZnII complex and are cis-related and unidentate [Zn-0,2.083,2.095(4) �]. Three of the waters are coordinated [Zn-0, 2.036, 2.055, 2.099(4) �] with one of these also acting as a bridging ligand between the octahedral zinc centres [Zn-0, 2.326(4) �], giving a 'linear' polymer structure [Zn-0-Zn bridge angle, 133.6(3)�]. The MnII and CoII complexes of dicamba [(2) and (3)] have been confirmed as isomorphous and isostructural with the ZnII analogue.

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