Molecular structures of some (dimethylamino)halogenosilanes in the gas phase by electron diffraction and the crystal and molecular structures of mono- and di-chloro(dimethylamino)silane by X-ray diffraction at low temperatures

1987 ◽  
pp. 3035 ◽  
Author(s):  
David G. Anderson ◽  
Alexander J. Blake ◽  
Stephen Cradock ◽  
E. A. V. Ebsworth ◽  
David W. H. Rankin ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Low Temperatures ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal And Molecular Structures

Structures of Energetic Acetylene Derivatives HC≡CCH2ONO2, (NO2)3CCH2C≡CCH2C(NO2)3 and Trinitroethane, (NO2)3CCH3

2013 ◽  
Vol 68 (5-6) ◽  
pp. 719-731 ◽  
Author(s):  
Thomas M. Klapötke ◽  
Burkhard Krumm ◽  
Richard Moll ◽  
Alexander Penger ◽  
Stefan M. Sproll ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Room Temperature ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Polar Solvents ◽  
X Ray ◽  
Nmr Study ◽  
Acetylene Derivatives

The molecular structures and relative ratios of the two conformers (anti and gauche) of HCCCH2ONO2 detected in the gas phase at room temperature have been determined by electron diffraction. The results are discussed on the basis of quantum chemical calculations. The molecular structures of (NO2)3CCH2C≡CCH2C(NO2)3 and (NO2)3CCH3 have been determined by X-ray diffraction. A109Ag NMR study was performed for silver trinitromethanide Ag[C(NO2)3] in various polar solvents.

Lewis-Base Adducts of Group 1B Metal(I) Compounds. XXI The Crystal and Molecular Structures of the Unsolvated Forms of Dibromotris(triphenylphosphine)dicopper(I) and 'step' Tetrabromotetrakis(triphenyl-phosphine)tetracopper(I)

1985 ◽  
Vol 38 (8) ◽  
pp. 1243 ◽  
Author(s):  
JC Dyason ◽  
LM Engelhardt ◽  
C Pakawatchai ◽  
PC Healy ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Molecular Structures ◽  
Lewis Base ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triphenyl Phosphine ◽  
X Ray ◽  
Crystal And Molecular Structures

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K. Crystal data for (PPh3)2CuBr2Cu(PPh3) (1) show that the crystals are iso-morphous with the previously studied chloro analogue, being monoclinic, P21/c, a 19.390(8), b 9.912(5), c 26.979(9) Ǻ, β 112,33(3)°; R 0.043 for No 3444. Cu( trigonal )- P;Br respectively are 2.191(3); 2.409(2), 2.364(2) Ǻ. Cu(tetrahedral)- P;Br respectively are 2.241(3), 2.249(3); 2.550(2), 2.571(2) Ǻ. Crystals of 'step' [PPh3CuBr]4 (2) are isomorphous with the solvated bromo and unsolvated iodo analogues, being monoclinic, C2/c, a 25.687(10), b 16.084(7), c 17.815(9) Ǻ, β 110.92(3)°; R 0.072 for No 3055. Cu( trigonal )- P;Br respectively are 2.206(5); 2.371(3), 2.427(2) Ǻ. Cu(tetrahedral)- P;Br are 2.207(4); 2.446(2), 2.676(3), 2.515(3) Ǻ.

Kupfer(I)-Komplexe mit ungesättigten Stickstoffliganden, V / Kupfer(I)-Komplexe mit Diazadienen als Chelate und Brücken: Röntgenstrukturenuntersuchungen an (DAD)Cu(μ-Cl)2Cu(DAD), [(DAD)2Cu]⁺ (CuCl2)-, (DAD)CuCl, [μ-(DAD)2Cu5Cl5]n und [μ-(DAD)Cu(OTf)]n (DAD = Diazadien) / Copper(I) Complexes with Unsaturated Nitrogen Ligands, V Copper(I) Complexes with Chelating and Bridging Diazadienes: X-Ray Diffraction Studies of (DAD)Cu(μ-Cl)2Cu(DAD), [(DAD)2Cu]+ (CuCl2)-, (DAD)CuCl, [μ-(DAD)2Cu5Cl5]n and [μ-(DAD)Cu(OTf)]n (DAD = Diazadiene)

1990 ◽  
Vol 45 (10) ◽  
pp. 1369-1382 ◽  
Author(s):  
Heindirk tom Dieck ◽  
Lutz Stamp
Keyword(s):  
Coordination Polymer ◽  
Molecular Complexes ◽  
Molecular Structures ◽  
Coordination Geometry ◽  
Halide Ions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nitrogen Ligands ◽  
Crystal And Molecular Structures ◽  
Irregular Geometries

Diazadienes RN = CR′-CR′ = NR (DAD) form molecular complexes with copper(I) halides of composition (DAD)CuX, the structures of which vary from [(DAD)2Cu]+(CuCl2)⁻ with a non-tetrahedral bis(chelated) cation, over [(DAD)CuCl]2 with asymmetrically bridging chloro ligands to planar three-coordinate (DAD)CuCl. The composition of the isolated complexes depends on the relative concentrations or on the solvent. The “soft” coordination geometry of copper is underlined by the structure of the coordination polymer of composition (DAD)2Cu5Cl5, in which Cu atoms of coordination number 2, 3 and 4 and very irregular geometries are encountered and where the DAD ligands are exclusively bridging. Halide ions and sp2-nitrogen donors are very competitive. Bridging DAD ligands are also encountered in (DAD)Cu-Y with the less nucleophilic anions trifluoromethane-sulphonate or perchlorate. Crystal and molecular structures are established for all these coordination geometries and the causes are discussed for the coordination flexibility of copper(I)

S4N4 und seine Derivate: Isolierung und Struktur von S4N4H+[SnCl5(H2O)]– und (S3N2NH2+)2[SnCl6]2– / S4N4 and its Derivatives: Isolation and Structure of S4N4H+[SnCl5(H2O)]- and (S3N2NH2+)2[SnCl6]2-

1986 ◽  
Vol 41 (5) ◽  
pp. 581-586 ◽  
Author(s):  
Konrad Holl ◽  
Ulf Thewalt
Keyword(s):  
Acetic Acid ◽  
Molecular Structures ◽  
Reaction Products ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal And Molecular Structures

Among the reaction products of S4N4 with SnCl4 in chloroform, that contains acetic acid and small amounts of water, there are two salts S4N4H+[SnCl5(H2O)]- (A) and (S3N2NH2+)2[SnCl6]2- (B), both containing protonated SnNm units. The crystal and molecular structures of A and B have been determined by X-ray diffraction. A: monoclinic, P21/c, a = 9.084(2), b - 23.758(4), c = 6.587(1) Å , β = 101.86(3)°, Dc = 2.383 g·cm-3 and Z = 4. B: monoclinic, P21/n, a = 9.882(3), b = 12.873(4), c = 6.807(2) Å , β = 93.77(5)°, Dc = 2.352 g·cm-3 and Z = 2. The structures of the cations in both compounds agree well with those found of other salts containing these cations.

The Crystal and Molecular Structure of Pentane-2,4-dionato-(2,3,5,6-tetrahepto-2,3-dicarbomethoxo[2.2.1]bicycloheptadiene)rhodium(I), Rh(C5H7O2) (C7H6(CO2CH3)2)

1975 ◽  
Vol 53 (18) ◽  
pp. 2707-2713 ◽  
Author(s):  
Debbie Allen ◽  
Colin James Lyne Lock ◽  
Graham Turner ◽  
John Powell
Keyword(s):  
Crystal And Molecular Structure ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Intensity Data ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Crystal And Molecular Structures ◽  
Square Planar ◽  
Rhodium Atom

The crystal and molecular structures of pentane-2,4-dionato-(2,3,5,6-tetrahapto-2,3-dicarbomethoxo[2.2.1]bicycloheptadienerhodium(I), Rh(C5H7O2)(C7H6(CO2CH3)2), have been measured by single crystal X-ray diffraction. The orange crystals are monoclinic, space group P21/c, Z = 4, a = 9.245(4), b = 9.003(4), c = 21.680(15) Å, β = 113.41(5)°. The calculated and observed densities are 1.645 and 1.642(5) respectively. Intensity data were collected on a Syntex [Formula: see text] diffractometer and a full matrix least squares refinement on 3010 observed reflections leads to a conventional R = 0.0660. The structure can be considered as a roughly square planar arrangement of ligands around the rhodium atom composed of two β-ketoenolate oxygen atoms (Rh—O, 2.037(5) and 2.025(5) Å ) and the centers of the two ethylenic groups. The Rh—C distances for the olefin group attached to the two carbomethoxo groups, 2.117(8), 2.108(8) Å, appear to be slightly larger than those for the other olefinic group, 2.087(7), 2.082(6), and the corresponding C=C distances of 1.375(10) and 1.410(9) Å are different at the 95% confidence level.

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