Über die Reaktion von SbPh3 mit S3N2Cl2 Kristallstrukturen von [xxx] und [(Ph3SbCl2)2·S4N4]/ On the Reaction of SbPh3 with S3N2Cl2. Crystal Structures of [xxx] and [(Ph3SbCl2)2· S4N4]

1997 ◽  
Vol 52 (2) ◽  
pp. 193-198 ◽  
Author(s):  
Frank Kunkel ◽  
Klaus Harms ◽  
Hak-Chul Kang ◽  
Werner Massa ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Phenyl Group ◽  
Dichloromethane Solution ◽  
Space Group ◽  
Trigonal Bipyramidal ◽  
Structure Determinations ◽  
Molecular Compounds ◽  
Van Der Waals Contacts ◽  
Distorted Trigonal Bipyramidal

Abstract Triphenylantimony reacts with S3N2Cl2 in dichloromethane solution to give yellow crystals of the cyclostibathiazene derivative [xxx], As a by-product orange single crystals of [(Ph3SbCl2)2·S4N4] were isolated, in which the molecular compounds Ph3SbCl2 and S4N4 only form van der Waals contacts with one another. Both compounds are characterized by crystal structure determinations. [xxx]: Space group P21/n, Z = 4; lattice dimensions at -80°C: a = 759.4(1), b = 1448.5(3); c = 1557.6(2) pm; β = 91.09(1)°, R = 0.026. The complex has a molecular structure in which the Sb atom is coordinate in a distorted trigonal-bipyramidal fashion with one phenyl group and one of the nitrogen atoms of the planar [xxx] ring in the apical positions.[(Ph3SbCL)2·S4N4]: Space group C2/c, Z = 8 ; lattice dimensions at -60°C: a = 1549.3(1), b = 1017.7(1), c = 2623.9(1) pm, β = 105.56(2)°, R = 0.050.

Die Kristallstruktur von N,N,N'-tris(trimethylsilyl)benzamidin sowie die Synthese und Kristallstruktur von DichIorantimon-N,N'-bis(trimethylsilyl)benzamidinat

1988 ◽  
Vol 43 (9) ◽  
pp. 1119-1124 ◽  
Author(s):  
Christina Ergezinger ◽  
Frank Weller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Steric Effect ◽  
Lone Pair ◽  
Antimony Atom ◽  
Antimony Trichloride ◽  
Chlorine Atoms ◽  
Space Group ◽  
Trigonal Bipyramidal ◽  
Structure Determinations ◽  
Distorted Trigonal Bipyramidal

Abstract N,N,N'-Tris(trimethylsilyl)benzamidine, [C6H5-C(NSiMe3)N(SiMe3)2], reacts with antimony trichloride in CH2Cl2 solution to form monomeric dichloroantimony-N,N'-bis(trimethylsilyl)- benzamidine, [SbCl2(NSiMe3)2C-C6H5]. Both benzamidine derivatives have been character­ized by crystal structure determinations. [C6H5-C(NSiMe3)N(SiMe3)2]: space group P21/c, Z = 4, 2278 observed independent refle­xions, R = 0,038. Lattice dimensions (19 °C): a = 1521,0(1); b = 656.7(1); c = 2163,0(1) β = 94,21(1)°. The compound forms monomeric molecules with CN distances of 126,6 pm, and 141,0 pm, respectively, corresponding to C=N̄-SiMe3 and C-N(SiMe3)2 moieties. [SbCl2(NSiMe3)2C-C6H5]: space group P21/c, Z = 4, 2707 observed independent reflexions, R = 0,027. Lattice dimensions (19 °C): a = 1212,7(1); b = 962,1(1); c = 1728,9(1) pm; β = 98,02(1)°. The compound forms monomeric molecules in which the antimony atom is surrounded by two chlorine atoms, and by the N atoms of the benzamidine chelate, forming a distorted trigonal bipyramidal arrangement, which is a consequence of the steric effect of the lone pair on the Sb atom.

scholarly journals The crystal and molecular structure of the bis(N,N,N′,N′-tetramethylethanediamine) adduct of I(Br)InInBr2, In2Br3I•2C6H16N2, an indium–indium bonded molecule

1984 ◽  
Vol 62 (3) ◽  
pp. 601-605 ◽  
Author(s):  
Masood A. Khan ◽  
Clovis Peppe ◽  
Dennis G. Tuck
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Orthorhombic Space Group ◽  
Trigonal Bipyramidal ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Heavy Atom Method ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the title compound has been determined by the heavy atom method. The crystals are orthorhombic, space group Pbca, with unit cell dimensions a = 22.795(3) Å, b = 17.518(2) Å, c = 12.396(3) Å, Z = 8; R = 0.0409 for 1527 unique "observed" reflections. The structure is disordered, with each halogen site (X) occupied by 75% Br, 25% I. The molecule consists of two X2(tmen)In units (tmen = N,N,N′,N′-tetramethylethanediamine) with distorted trigonal bipyramidal geometry, joined by an In—In bond 2.775(2) Å in length.

Organoamido- and Aryloxo-Lanthanoids. XI. Syntheses and Crystal Structures of Nd(Odpp)3, Nd(Odpp)3(thf) and [Nd(Odpp)3(thf)2].2(thf) (Odpp-=2,6-Diphenylphenolate): Variations in Intramolecular π-Ph-Nd Interactions

1995 ◽  
Vol 48 (4) ◽  
pp. 741 ◽  
Author(s):  
GB Deacon ◽  
TC Feng ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Phenyl Group ◽  
Triangular Array ◽  
The Other ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The X-ray crystal structure of Nd (Odpp)3 ( Odpp- = 2,6-diphenylphenolate), obtained by sublimation of Nd ( Odpp )3( thf )2 ( thf = tetrahydrofuran ) [triclinic, Pī , a 15.835(5), b 13.499(10), c 10.955(11) Ǻ, α 116.25(7), β 92.87(7), γ 101.66(6)°, V 2031 Ǻ3, Z2, No 5726 'observed' data (I > 3σ(I)) refined to conventional R 0.047 shows a near triangular array of oxygens surrounding neodymium { Nd -O} 2.169 Ǻ, ∑ O- Nd -O 353.2° with additional, intramolecular Nd-η6-Ph chelate interactions { Nd -C} 3.046 Ǻ and Nd-η1-Ph ( Nd -C 2.964(7)Ǻ). There is a pseudotrigonal bipyramidal arrangement of the oxygens, the centroid of the η6-Ph, and the η1-carbon. The complex Nd ( Odpp )3( thf ), obtained by crystallization of Nd ( Odpp )3( thf )2 from toluene (monoclinic, P21/c, a 12.213(4), b 21.447(4), c 17.744Ǻ, β 104.25(2)°, V 4505 Ǻ3, Z 4, R 0.042 for No 8014) also has pseudotrigonal bipyramidal stereochemistry, with a triangular equatorial array of aryl oxide oxygens { Nd -O} 2.193 Ǻ; ∑ O- Nd -O 358.7°, an apical thf oxygen (Nd -O 2.446(3)Ǻ), and an apical intramolecular chelating phenyl group. As the last has three Nd -C contacts (3.094(5), 3.144(5), 3.010(5)Ǻ) significantly shorter than the other three (3.300(5), 3.427(5), 3.377(5)Ǻ), an η3-Ph-Nd interaction seems likely. For [ Nd ( Odpp )3( thf )2].2( thf ), obtained by crystallization from tetrahydrofuran without drying of the crystals, the X-ray structure (monoclinic, P21, a 10.230(2), b 21.919(5), c 13.411(4) Ǻ, β 101.15(2)°, V 2950 A3, Z2, R 0.058 for No 3237) reveals a distorted trigonal bipyramidal arrangement of three aryl oxide oxygens (two equatorial 2.208(9), 2.16(1) Ǻ; one axial 2.203(9) Ǻ) and two thf oxygens (one equatorial 2.44(1) Ǻ; one axial (significantly distant) 2.62(1) Ǻ). The X-ray structure of [La( Odpp )3( thf )2].2( thf ) shows it to be isostructural with the neodymium analogue.

scholarly journals Crystal structure of tris(dimethylamido-κN)bis(dimethylamine-κN)zirconium(IV) iodide

2016 ◽  
Vol 72 (1) ◽  
pp. 73-75 ◽  
Author(s):  
Wesley D. Clark ◽  
Gopalakrishna Akurathi ◽  
Henry U. Valle ◽  
T. Keith Hollis
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Solid Oxide Fuel Cells ◽  
Solid Oxide ◽  
Coordination Geometry ◽  
Oxide Fuel ◽  
Trigonal Bipyramidal ◽  
Zirconium Complexes ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

Zirconium amides have become increasingly popular and useful due to their widespread use as precursors to other zirconium complexes and their use in the production of solid oxide fuel cells (SOFCs). Herein we report the molecular structure of tris(dimethylamido)bis(dimethylamine)zirconium(IV) iodide, [Zr(C2H6N)3(C2H7N)2]I. The bond lengths and bond angles are consistent with a slightly distorted trigonal–bipyramidal coordination geometry around the metal atom. N...I contacts of 3.6153 (15) and 3.5922 (14) Å are consistent with the presence of N—H...I interactions. These N—H...I interactions link the complex cations and iodide anions into extended chains that propagate parallel to theaaxis.

Darstellung und Kristallstruktur von Zinkazid · 4-Methylpyridin / Preparation and Crystal Structure of Zinc Azide · 4-Methylpyridine

1988 ◽  
Vol 43 (3) ◽  
pp. 253-256 ◽  
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystal ◽  
Zinc Atom ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

Zinc azide · 4-methylpyridine (1) is formed by the reaction of zinc azide with the corresponding pyridine in aqueous solution. The crystal structure was determined by single crystal X-ray diffraction methods. The crystals of 1 are monoclinic, space group C2/c, Z = 4, a = 1085.5(2), b = 1692.7(11), c = 619.7(6) pm, β = 113.47(5)°. Each zinc atom is surrounded by five nitrogen atoms (four from azide groups and one from the pyridine adduct) in a distorted trigonal bipyramidal fashion. The ZnN5-polyhedra share common edges to form chains along the crystallographic c-axis.

scholarly journals The Crystal Structure of TlBrI2(4-methylpyridine-N-oxide)2

1988 ◽  
Vol 43 (1) ◽  
pp. 132-133 ◽  
Author(s):  
W. Hiller ◽  
A. Castiñeiras ◽  
M. E. García- Fernandez ◽  
M. R. Bermejo ◽  
J. Bravo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Bromine Atom ◽  
Unit Cell ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Thallium Atom ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal ◽  
Methyl Pyridine

Abstract The unit cell of TlBrI2 (4-methylpyridine-N-oxide) 2 is orthorhombic, space group Pnna. with a = 1126.9(3),b = 919.8(2),c = 1210.4(3) pm.and Z = 4. The structure consists of discrete TlBrI2 (4-methyl-pyridine-N-oxide)2 molecules which have a distorted trigonal-bipyramidal geometry. The thallium atom is coordinated to two iodine atoms and a bromine atom in equatorial positions, and by two 4-methyl-pyridine-N-oxide ligands in the axial positions.

Crystal structure of the spirophosphorane (OCMe2C(O)O)2PH

1998 ◽  
Vol 76 (7) ◽  
pp. 1060-1063 ◽  
Author(s):  
Craig D Montgomery ◽  
Steven J Rettig ◽  
Bryn Shurmer
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Direct Methods ◽  
Trigonal Bipyramid ◽  
Full Matrix ◽  
Space Group ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Independent Molecules ◽  
Distorted Trigonal Bipyramidal

The crystal structure of the spirobicyclic phosphorane (OCMe2C(O)O)2PH, 1, has been determined. Crystals of C8H13O6P, 1, are orthorhombic, a = 10.515(2), b = 10.623(2), c = 20.552(2) Å, Z = 8, space group Pca21. The structure was solved by direct methods and refined by full-matrix least-squares procedures to R = 0.037 (Rw = 0.033) for 1616 reflections with I > 3sigma(I). The structure consists of two independent molecules each displaying a distorted trigonal bipyramidal geometry; the distortion follows closely the Berry pseudorotation coordinate.Key words: crystal structure, phosphorane, Berry pseudorotation, trigonal bipyramid.

scholarly journals N-Iod-triphenylphosphanimin. Synthese und Kristallstrukturen von [Me3SiNPPh3· ICl] und Ph3PNI / N -Iodo-triphenylphosphaneimine. Synthesis and Crystal Structures of [Me3SiNPPh3 · ICl] and Ph3PNI

1996 ◽  
Vol 51 (12) ◽  
pp. 1739-1743 ◽  
Author(s):  
Jutta Grebe ◽  
Frank Weller ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Iodine Atom ◽  
Bond Angle ◽  
Potassium Fluoride ◽  
Linear Arrangement ◽  
Space Group ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Donor Acceptor

N-Iodo-triphenylphosphaneimine, Ph3PNI, has been prepared by thermolysis of the donor acceptor complex [Me3SiNPPh3·ICl] in boiling acetonitrile in the presence of potassium fluoride. Both compounds have been characterized by IR spectroscopy and by crystal structure determinations. [Me3SiNPPh3 · ICl]: Space group P1̄, Z = 2, a = 888.3(1), b = 1070.7( 1), c = 1310.2( 1) pm, α = 95.15( 1)°, β = 108.67( 1)°, γ = 97.78( 1)° at 20°C. The complex has a molecular structure in which the N atom of the phosphaneimine is connected with the iodine atom of the ICI molecule in a linear arrangement N-I-Cl with bond lengths N-I = 232.7 pm, I-Cl = 255.37 pm. \Ph3PNI: Space group P21/n, Z = 4, a = 952.8(1), b = 1800.8(2), c = 1003.6(1) pm, β = 110.25(1)° at -50°C. The compound forms monomeric molecules with bond lengths PN = 159.1 pm, I-N = 205.6 pm and an INP bond angle of 113.3°.

Crystal and molecular structure of the salicylaldehydatogallium dimethyl dimer

1976 ◽  
Vol 54 (8) ◽  
pp. 1278-1284 ◽  
Author(s):  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Gallium Atom ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Centrosymmetric Dimers ◽  
Distorted Trigonal Bipyramidal

Crystals of the salicylaldehydatogallium dimethyl dimer, [C7H5O2•GaMe2]2, are triclinic, a = 9.845(1), b = 8.6892(8), c = 7.4153(6) Å, α = 118.236(5), β = 92.46(1), γ = 115.81(1)°, Z = 1, space group [Formula: see text] The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to a final R of 0.050 and Rw of 0.064 for 1644 reflections with I ≥ 3σ(I). The structure features a five-coordinate gallium atom having distorted trigonal bipyramidal geometry. Monomer units link via the formation of a four-membered Ga2O2 ring to form the centrosymmetric dimers. Bond lengths in the molecule are: Ga—O(eq), 1.933(3), Ga—O(ax), 2.127(3) and 2.469(3), Ga—C, 1.944(6) and 1.946(5), C—O, 1.333(4) and 1.231(6), C(ar)—C(sp2), 1.432(7), mean C—C(ar), 1.395(8), mean C(sp3)—H, 0.92(4), and mean C(sp2)—H, 0.93(2) Å. Bonds not involving hydrogen have been corrected for thermal motion.

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

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