Highly conducting phenazine-doped 5,10-dihydro-5,10-dimethylphenaziniumyl–TCNQ. Physical properties and crystal and molecular structure

1980 ◽  
Vol 36 (6) ◽  
pp. 1435-1440 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
W. Moroni ◽  
D. Nöthe
Keyword(s):  
Molecular Structure ◽  
Physical Properties ◽  
Crystal And Molecular Structure

Synthesis and crystal and molecular structure of ethanolaminogallium dimethyl, H2NCH2CH2O•GaMe2

1979 ◽  
Vol 57 (5) ◽  
pp. 586-590 ◽  
Author(s):  
Kenneth S. Chong ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Physical Properties ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Space Group ◽  
Bond Lengths ◽  
R Value

Details of the synthesis and physical properties of H2NCH2CH2O•GaMe2 are given. The compound crystallizes in the tetragonal space group P43, a = 12.2771(2), c = 9.7345(4) Å, Z = 8. The structure was solved by Patterson and Fourier syntheses and was refined by fullmatrix least-squares procedures to a final R value of 0.028 and Rw of 0.036 for 1378 reflections with I ≥ 3σ(I). The structure consists of monomeric molecules containing tetrahedrallycoordinated gallium atoms. Molecules are linked by an extensive network of N—H … O hydrogen bonds. Bond lengths (corrected for libration) are: Ga—O, 1.916(5) and 1.917(4), Ga—N, 2.056(6) and 2.072(6), and Ga—C, 1.962–1.974(8–9) Å.

scholarly journals Crystal and molecular structure of the binuclear Rh(I) complex (μ-Cl)(μ-pz) [Rh(CO)2]2 (pz = pyrazolyl, N2C3H3). An example of molecular stacking via weak intermolecular interactions

1985 ◽  
Vol 63 (3) ◽  
pp. 688-691 ◽  
Author(s):  
Brenda M. Louie ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Metal Complex ◽  
Physical Properties ◽  
Transition Metal Complex ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Full Matrix ◽  
Weak Intermolecular Interactions ◽  
Molecular Stacking

Details of the synthesis and physical properties of (μ-Cl)(μ-pz)[Rh(CO)2]2 are given. Crystals of (μ-chloro) (μ-pyrazolyl)-bis(dicarbonylrhodiumd(I)) are monoclinic, a = 7.0970(8), b = 20.5184(10), c = 15.808(2) Å, β = 94.695(6)°, Z = 8, space group P21/c. The structure was solved by conventional heavy-atom methods and was refined by full-matrix least-squares procedures to R = 0.035 and Rw = 0.038 for 2949 reflections with I ≥ 3σ(I). The complex provides a rare example of molecular stacking in a binuclear transition metal complex with [Formula: see text] distances of 3.5107(8) and 3.6201(8) Å.

Structural studies of organoboron compounds. XXII. Preparation and crystal and molecular structure of tetramethylammonium-2,4,6,6-tetraphenyl-1,3,5-trioxa-2,4- dibora-6-boratacyclohexane

1985 ◽  
Vol 63 (12) ◽  
pp. 3516-3520 ◽  
Author(s):  
W. Kliegel ◽  
H.-W. Motzkus ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Physical Properties ◽  
Crystal And Molecular Structure ◽  
Structural Parameters ◽  
Direct Methods ◽  
Maximum Deviation ◽  
Structural Studies ◽  
Full Matrix ◽  
The Mean

Details of the preparation and physical properties of (Me4N)+ (Ph4B3O3)− are given. Crystals of tetramethylammonium 2,4,6,6-tetraphenyl-1,3,5-trioxa-2,4-dibora-6-boratacyclohexane are orthorhombic, a = 18.130(2), b = 11.9745(7), c = 12.5187(5) Å, Z = 4, space group Pna21. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.056 and Rw = 0.064 for 1460 reflections with I ≥ 2σ(I). The crystal structure consists of discrete tetramethylammonium cations and tetraphenylboroxinate anions, the first such anion to be structurally characterized. The six-membered B3O3 ring is significantly non-planar, having a flattened O(1)-envelope conformation (maximum deviation from the mean plane = 0.074(4) Å for O(1)). The boroxine ring in the anion shows significant deviations from the D3h symmetry observed for neutral boroxines. Important mean structural parameters: B(sp3)—O = 1.494(2), B(sp2)—O[B(sp3)] = 1.320(9), B(sp2)—O[B(sp2)] = 1.389(3) Å, O—B(sp3)—O = 110.5(5), O—B(sp2)—O = 121.7(6), B(sp2)—O—B(sp2) = 118.9(5), and B(sp3)—O—B(sp2) = 122.9(1)°.

Radical Cation Salts of an Unsymmetrical BEDT-TTF Derivative: Molecular Structure and Physical Properties of (DIMET*)2CIO4 X THF

1985 ◽  
Vol 40 (12) ◽  
pp. 1703-1710 ◽  
Author(s):  
R. Heid ◽  
H. Endres ◽  
H. J. Keller
Keyword(s):  
Molecular Structure ◽  
Electrical Conductivity ◽  
Physical Properties ◽  
Crystal And Molecular Structure ◽  
Average Charge ◽  
Two Dimensional ◽  
X Ray ◽  
Radical Cation Salts ◽  
Solvent Molecules ◽  
Ray Methods

Abstract 4.5-Dimethyl-4'.5'-ethylenedithiolotetrathiafulvalene (DIMET) was obtained by reacting 4.5- ethylenedithiolo-1.3-dithioliumtetrafluoroborate with 4.5-dimethyl- 1.3-dithiolium-tetrafluoroborate in the presence of diisopropylethylamine or triethylamine. Electrocrystallization of this donor in different solvents like dichloromethane or tetrahydrofurane (THF) and with varying supporting electrolytes, like tetrabutylammonium hexafluorophosphate, triiodide, nitrate, perrhenate or perchlorate, results in a large number of well crystallizing compounds. The crystal and molecular structure of one of the isolated solids was elucidated by X-ray methods. (C10)H10S6)2CIO4 x C4H8O, Mr = 816.66, is triclinic, P1̄ , a = 6.731(5), b - 7.632(3), c = 33.32(3) Å , α = 96.53(5), β = 92.99(6), γ = 103.13(5)°, V - 1650.7 Å3, Z = 2, dc = 1.64 gem-3, final Rw = 0.077 for 1844 observed independent reflections. Sheets of cations with an average charge of 1/2+ are separated by sheets of anions and THF solvent molecules. Intermolecular S···S contacts result in two-dimensional physical properties. Electrical conductivity and thermopower measurements indicate two broad phase transitions at around 200 K and 80 K

Synthesis, physical properties, and crystal and molecular structure of a binuclear copper(II) complex incorporating 3-methylpyrazolylgallate ligands

1976 ◽  
Vol 54 (3) ◽  
pp. 343-354 ◽  
Author(s):  
Ralph T. Baker ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Physical Properties ◽  
Binuclear Complex ◽  
Crystal And Molecular Structure ◽  
Binuclear Copper ◽  
Full Matrix ◽  
Pyramidal Geometry ◽  
Complex Features ◽  
Square Pyramidal Geometry ◽  
Atom Bond

Crystals of [Me3Ga2(N2C4H5)3CuO]2 are monoclinic, a = 10.766(1), b = 14.419(2), c = 15.174(1) Å, β = 115.923(6)°, Z = 2, space group P21/c. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to a final R of 0.047 and Rw of 0.060 for 3042 reflections with I ≥ 3σ(I). Details of the preparation and physical properties of the compound are given. The centrosymmetric binuclear complex features copper atoms having distorted square-pyramidal geometry, bonded to four nitrogen atoms and one oxygen atom. Bond distances in the molecule are: Cu—O, 1.923(3), Cu—N, 1.964(4)–2.874(4), Ga—O, 1.825(4) and 1.881(3), Ga—N, 1.952(4)–1.978(5), Ga—C, 1.950(7)–1.979(8), N—N, 1.358(6)–1.385(6), N—C, 1.326(7)–1.352(6), C—C(pyrazolyl), 1.342(9)–1.386(8), C—CH3, 1.487(9)–1.500(10), and C—H, 0.81(10)–1.06(12) Å.

Structural studies of organoboron compounds. XIV. Preparation and crystal and molecular structure of 4-isopropylidene-2,5,5-triphenyl-1,3-dioxa-4-azonia-2-bora-5-boratacyclopentane

1983 ◽  
Vol 61 (10) ◽  
pp. 2329-2333 ◽  
Author(s):  
W. Kliegel ◽  
D. Nanninga ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Physical Properties ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Structural Studies ◽  
Organoboron Compounds ◽  
Full Matrix ◽  
Space Group ◽  
Tetrahedral Boron

Details of the synthesis, physical properties, and molecular structure of 4-isopropylidene-2,5,5-triphenyl-1,3-dioxa-4-azonia-2-bora-5-boratacyclopentane are reported. Crystals of this compound are monoclinic, a = 14.126(3), b = 16.008(1), c = 8.642(2) Å, β = 99.052(8)°, Z = 4, space group P21/n. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.032 and Rw = 0.033 for 1117 reflections with I ≥ 3σ(I). The molecule contains a nearly planar five-membered B—O—B—O—N ring which incorporates both trigonal planar boron (B—O = 1.333(4) and 418(4), B—C = 1.548(5) Å) and tetrahedral boron atoms (B—O = 1.495(4), B—N = 1.676(4), B—C = 2 at 1.603(5) Å). Other important libration-corrected bond distances include: C=N = 1.284(3) and N—O = 1.418(3) Å.

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