Bis(1,10-phenantroline)copper(II) Complexes. Refinement of the Crystal Structure of the Dithiocyanato-bis(1,10-phenanthroline)copper(II) Complex

1992 ◽  
Vol 57 (6) ◽  
pp. 1269-1277 ◽  
Author(s):  
Mária Kabešová ◽  
Zlatica Kožíšková
Keyword(s):  
Crystal Structure ◽  
Coordination Polyhedron ◽  
Room Temperature ◽  
Central Atom ◽  
Elementary Cell ◽  
Axial Position ◽  
Published Data ◽  
Orthorhombic Structure ◽  
Cell Parameters ◽  
Phenanthroline Ligand

[Cu(NCS)2(phen)2] possesses the orthorhombic structure Pbcn at room temperature; the elementary cell parameters are a = 1.3029(21), b = 0.9900(15), c = 1.7256(23) nm, Z = 4. The central atom has the pseudooctahedral CuN6 coordination. The thiocyanate ligands are coordinated by the nitrogen atom in the equatorial plane of the coordination polyhedron. Each phenanthroline ligand in the coordination polyhedron coordinates one equatorial and one axial position. All the coordinating ligands possess the cis arrangement in the coordination sphere. The experimental results are correlated with published data of other bis(phenanthroline)copper(II) crystal structures.

The crystal and molecular structure of the bis(thiocyanato)-bis(4-methylpyridine)copper(II) complex at 180 K

1990 ◽  
Vol 55 (5) ◽  
pp. 1184-1192 ◽  
Author(s):  
Mária Kabešová ◽  
Zlatica Kožíšková ◽  
Michal Dunaj-Jurčo
Keyword(s):  
Molecular Structure ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Central Atom ◽  
Elementary Cell ◽  
Heterocyclic Ligands ◽  
Monoclinic System ◽  
Coordination Polyhedra ◽  
Cell Parameters ◽  
Thermal Stability Of

At 180 K, [Cu(4-Mepy)2(NCS)2] crystallizes in the monoclinic system, space group P21, Z = 6, with the elementary cell parameters a = 0.963(1), b = 2.653(2), c = 0.984(2) nm, β = 106.40(0.07)°. The central atom possesses the tetragonal bipyramidal coordination; the heterocyclic ligands are bonded in the equatorial plane of the coordination polyhedron in the trans positions, the thiocyanate ligands are bridge ones and are coordinated in both the equatorial and axial positions of the coordination polyhedron. The crystal structure involves three symmetrically independent coordination polyhedra differing in the degree of axial distortion. The thermal stability of the thiocyanate ligands in the complex is related with the steric arrangement of the thiocyanatocopper(II) chains.

Fabrication of Bi6Fe2Ti3O18 Ceramics by Mixed Oxide Method

2012 ◽  
Vol 730-732 ◽  
pp. 100-104
Author(s):  
Agata Lisińska-Czekaj
Keyword(s):  
Room Temperature ◽  
Ceramic Powder ◽  
Diffraction Method ◽  
Elementary Cell ◽  
X Ray Diffraction ◽  
Stoichiometric Mixture ◽  
Pressing Method ◽  
X Ray ◽  
Cell Parameters ◽  
Ceramic Samples

In the present study Bi6Fe2Ti3O18 (BFTO) ceramics has been fabricated by solid state reaction from the mixture of simple oxides viz. Bi2O3, TiO2 and Fe2O3. Stoichiometric mixture of the powders was thermally analyzed so parameters of the thermal treatment were determined. The EDS measurements have shown conservation of the chemical composition of the ceramic powder after calcination. Hot-pressing method was used for final densification of ceramic samples. The crystalline structure of the sintered samples was examined by X-ray diffraction method at room temperature. It was found that BFTO ceramics sintered at T=980 °C adopted the orthorhombic structure of Aba2 (41) space group with the following elementary cell parameters: a=5.4567(2)Å, b=49.418(2) and c=5.4826(2). Details concerning the atom’s positions are presented.

Tetra-n-butylammonium iodide: a space-group revision

2007 ◽  
Vol 63 (3) ◽  
pp. o1464-o1466 ◽  
Author(s):  
Wiesław Prukała ◽  
Bogdan Marciniec ◽  
Maciej Kubicki
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Temperature Determination

The crystal structure of tetra-n-butylammonium iodide, C16H36N+·I−, has been redetermined at room temperature and at 100 (1) K. In the low-quality (R = 0.142) room-temperature determination by Wang, Habenschuss, Xenopoulos & Wunderlich [Mol. Cryst. Liq. Cryst. Sci. Technol. Sect. A (1995), 264, 115–129], this structure was described as crystallizing in the space group C2 with Z′ = 2. Our results prove that the correct space group is C2/c (with the same unit-cell parameters as in the original determination) at both temperatures. In the crystal structure, the iodide anions fill the voids in the grid-like cationic structure. Weak C—H...I interactions (eight per anion) strengthen this packing.

Synthesis and structure of the ternary nitride Li6WN4

2005 ◽  
Vol 20 (1) ◽  
pp. 18-21 ◽  
Author(s):  
W. X. Yuan ◽  
J. W. Hu ◽  
Y. T. Song ◽  
W. J. Wang ◽  
Y. P. Xu
Keyword(s):  
Crystal Structure ◽  
Thermal Stability ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
High Quality ◽  
X Ray ◽  
Cell Parameters ◽  
Tetragonal System ◽  
Ternary Nitride ◽  
Stability Measurements

The ternary nitridotungstate Li6WN4 has been synthesized via the solid state reaction of lithium subnitride, Li3N, with W under nitrogen. High quality X-ray powder diffraction data were collected for the crystal-structure determination. Li6WN4 crystallizes in the tetragonal system, space group P42∕nmc, with cell parameters a=6.6759(3) Å and c=4.9280(3) Å, Z=2. Preliminary thermal stability measurements of Li6WN4 show that it is sensitive to moisture, even at room temperature, and decomposes at high temperatures below 1000 °C under flowing nitrogen.

Synthesis and Spectroscopic Investigations of New Linear Heterobimetallic Clusters [Me4N]3[(TOS3 )2Ag] (T = Mo, W). Crystal Structure of [Me4N]3[(MoOS3 )2Ag]

2000 ◽  
Vol 55 (3-4) ◽  
pp. 238-242 ◽  
Author(s):  
A. B. M. Shamsur Rahman ◽  
H. Boiler ◽  
K. O. Klepp
Keyword(s):  
Crystal Structure ◽  
Mass Spectra ◽  
Room Temperature ◽  
Trinuclear Complex ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Absorption Bands ◽  
Variable Parameters ◽  
Cell Parameters ◽  
Complex Anions

Abstract Red-brown crystals of a new bis(thiomolybdate) complex [Me4N]3[(MoOS3)2Ag] were formed at room temperature through the reaction of a solution of [Me4N]2[MoOS3] in MeCN with solid AgCN. They are monoclinic, space group P21/c with unit cell parameters a = 16.662(9), b = 9.464(3), c = 17.890(8) A, /3 = 101.87(2)°, Z = 4. The crystal structure was determined from single crystal diffractometer data (MoKα-radiation) and refined to R = 0.044 (3614 reflections, 236 variable parameters). The structure is characterized by trinuclear complex anions, [(MoOS3)2Ag]3-. According to Weissenberg investigations the homologous tungsten compound is isostructural. The infrared spectrum of the molybdenum complex (KBr powder) shows absorption bands at 884 (vs) and 871 (w) cm-1 (terminal v(Mo-0)), 483 (vs) cm-1 (terminal v(Mo-S)), 451 (vs), and 435 (w) cm-1 (bridging v(Mo-S)). The tungsten complex showed bands at 901 (vs) cm-1 (terminal v(W-O)), 478 (vs) cm-1 (terminal v(W-S)), and 435 (vs) cm-1 (bridging v(W-S)). The anionic mass spectra shows molecular ion peaks at m/z 524 and 700 for [(MoOS3)2Ag]- and [(WOS3)2Ag]-, respectively, as well as peaks for other fragments.

Preparation and crystal structure of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7

2008 ◽  
Vol 23 (3) ◽  
pp. 232-240
Author(s):  
Abderrahim Aatiq ◽  
Rachid Bakri ◽  
Aaron Richard Sakulich
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Room Temperature ◽  
Rietveld Method ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(W O4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

scholarly journals Synthesis, Crystal structure, Vibrational, Optical and Dielectric properties Of 2-(2-Aminoethyl)-1-methylpyrrolidinum chloride hexachlorobismuthate (III) monohydrate [C7H18N2]2ClBiCl6.H2O

2013 ◽  
Vol 9 (3) ◽  
pp. 2005-2022 ◽  
Author(s):  
Fayçal Ben Tahar ◽  
Chakib Hrizi ◽  
Slaheddine Chaabouni ◽  
Nassira Chniba-Boudjada ◽  
Nicolas Ratel Ramond ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dielectric Properties ◽  
Room Temperature ◽  
Three Dimensional ◽  
Free Water ◽  
Unit Cell ◽  
Water Molecules ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Vis Spectroscopy

Synthesis, crystal structure, vibrational and dielectric properties of [C7H18N2]2ClBiCl6.H2O are reported. The compound crystallizes at room temperature in the orthorhombic system, space group P212121, with the following unit cell parameters : a = 7.5500(6) Å, b = 18.3780(2) Å, c = 19.8980(13) Å, V = 2760.9(4) Å3 and four molecules per unit cell. The structure has been solved by three-dimensional Patterson synthesis and refined by least-squares analysis (R1 = 0.0463, wR2 = 0.0764). The crystal structure of the title compound, [C7H18N2]2ClBiCl6.H2O consists of 2-(2-Aminoethyl)-1-methylpyrrolidinium cations, [BiCl6]3- anions, Cl- anions and free water molecules. The Bi(III) cation is coordinated by six Cl- anions in slightly distorsed octahedral geometry. In the crystal, extensive intermolecular N-H…Cl hydrogen bonds occur. The charge-transfer (CT) interactions between 2-(2-Aminoethyl)-1-methylpyrrolidinium cation and the anionic hosts have been revealed by structural analysis and UV-vis spectroscopy. The dielectric properties have been investigated at temperature range from 100 to 300 K at various frequencies (1 KHz – 1 MHz). The evolution of dielectric constant as a function of temperature and frequency of pellet has been investigated in order to determine some related parameters.

scholarly journals Synthesis, Characterization, and Crystal Structure of Negundoside (2′-p-Hydroxybenzoyl Mussaenosidic Acid)

2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Suresh Sharma ◽  
B. D. Gupta ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Direct Method ◽  
Monoclinic Crystal System ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic Crystal ◽  
Full Matrix ◽  
X Ray ◽  
Cell Parameters

The structure of title compound Negundoside (2′-p-hydroxybenzoyl mussaenosidic acid) was established by spectral and X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with space group P21 having unit cell parameters: a=11.6201 (5) Å, b=9.2500 (4) Å, c=12.2516 (5) Å, β=97.793 (4)°, and Z=2. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R value of 0.0520 for 3389 observed reflections.

Crystal and molecular structure of the tetracyanato-bis(phenanthroline)copper(II) complex

1991 ◽  
Vol 56 (8) ◽  
pp. 1601-1606 ◽  
Author(s):  
Kim Tae Jin ◽  
Mária Kabešová ◽  
Josef Kožíšek
Keyword(s):  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Central Atom ◽  
Axial Direction ◽  
Unit Cell Parameters ◽  
Heterocyclic Ligand ◽  
Cell Parameters ◽  
Square Planar ◽  
Tetragonal Pyramidal ◽  
Phenanthroline Ligands

At room temperature, the [Cu2(NCO)4(phen)2] complex possessed monoclinic symmetry, P21/n, with the unit cell parameters a = 0.7757(3) nm, b = 1.3563(5) nm, c = 1.1555(4) nm, β = 96.92(2)°, Z = 2. The central atom is involved in tetragonal pyramidal coordination comprising the CuN4Cu’ chromophor. The nitrogen atoms of the cyanate and phenanthroline ligands are in a square planar arrangement, from which the central copper atom is displaced in the axial direction. Through the Cu-Cu bond (0.320 nm), the [Cu(NCO)2(phen)] formula units are linked into centrosymmetric units, which in the crystal structure lie in parallel layers. The occurrence of the Cu-Cu bond can account for the fact that only one molecule of the heterocyclic ligand can be coordinated.

Neuartige zwitterionische λ5-Spirosilicate: Synthese und Kristallstruktur von Bis[l,2-benzoldiolato(2 – )][2-(dimethylammonio)phenyl]silicat sowie Synthese von Bis[2,3-naphthalindiolato(2 – )][2-(dimethylammonio)phenyl]silicat-Hemiacetonitril-Solvat / Novel Zwitterionic λ5-Spirosilicates: Synthesis and Crystal Structure of Bis[1,2-benzenediolato(2–)][2-(dimethylammonio)phenyl]silicate and Synthesis of Bis[2,3-naphthalenediolato(2–)][2-(dimethylammonio)phenyl]silicate Hemiacetonitrile Solvate

1992 ◽  
Vol 47 (10) ◽  
pp. 1370-1376 ◽  
Author(s):  
Reinhold Tacke ◽  
Frank Wiesenberger ◽  
Angel Lopez-Mras ◽  
Jörg Sperlich ◽  
Günter Mattern
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carbon Atom ◽  
Coordination Polyhedron ◽  
Room Temperature ◽  
Trigonal Bipyramid ◽  
X Ray Diffraction ◽  
Apical Position ◽  
Synthesis And Crystal Structure ◽  
X Ray

The zwitterionic λ5-spirosilicates bis[1,2-benzenediolato(2–)][2-(dimethylammonio)-phenyl]silicate (4) and bis [2,3-naphthalenediolato(2–)][2-(dimethylammonio)phenyl]silicate (5; isolated as 5 · ½CH3CN) were synthesized and the crystal structure of 4 was studied by X-ray diffraction. 4 was prepared by reaction of [2-(dimethylamino)phenyl]trimethoxysilane (7) or bis[2-(dimethylamino)phenyl]dimethoxysilane (8) with 1,2-dihydroxybenzene in acetonitrile at room temperature. 5 was synthesized analogously by reaction of 7 or 8 with 2,3-dihydroxynaphthalene. The silanes 7 and 8 were obtained by reaction of tetramethoxysilane (6) with [2-(dimethylamino)phenyl]lithium. The reactions 8 → 4 and 8 → 5 involve a remarkable Si–C cleavage leading to the formation of (dimethylamino)benzene. The pentacoordinate silicon atoms of 4 and 5 are surrounded by four oxygen atoms and one sp2 hybridized carbon atom. The coordination polyhedron of 4 can be described as a distorted square pyramid, the carbon atom being in the apical position (the structure is distorted by 69,1 % from the trigonal bipyramid towards the square pyramid). In the crystal, 4 forms an intramolecular N-H···O hydrogen bond.

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