ChemInform Abstract: BIDODECAHEDRAL COORDINATION GEOMETRY IN A DIMOLYBDENUM TETRAHYDRIDE CONTAINING THREE FLUORIDE BRIDGES: CRYSTAL AND MOLECULAR STRUCTURE OF μ-TRIFLUORO-BIS(TRIS(METHYLDIPHENYLPHOSPHINE)DIHYDROMOLYBDENUM) TETRAFLUOROBORATE ((((PMEPH2)3H2

1984 ◽  
Vol 15 (11) ◽  
Author(s):  
R. H. CRABTREE ◽  
G. G. HLATKY ◽  
E. M. HOLT
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Coordination Geometry

Crystal and molecular structure of bis[methyltris(1-pyrazolyl)gallato]nickel(II)

1979 ◽  
Vol 57 (14) ◽  
pp. 1823-1825 ◽  
Author(s):  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Nickel Atom ◽  
Exact Formula ◽  
Coordination Geometry ◽  
Tetrahedral Coordination ◽  
Gallium Atom ◽  
Full Matrix ◽  
Distorted Tetrahedral Coordination

Crystals of bis[methyltris(1-pyrazolyl)gallato]nickel(II) are rhombohedral, a = 9.6670(5), c = 23.893(1) Å, Z = 3, space group [Formula: see text]. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to a final R of 0.030 and Rw = 0.035 for 925 reflections with I ≥ 3σ (I). The crystal structure consists of well separated molecules of [MeGa-(N2C3H3)3]2Ni having exact [Formula: see text] (S6) symmetry and approximate D3d symmetry. The coordination geometry about the nickel atom is octahedral with Ni—N = 2.109(2) Å, N—Ni—N = 90.65(6) and 89.35(6)°. The gallium atom has distorted tetrahedral coordination geometry with Ga—N = 1.939(2), Ga—C = 1.940(4) Å, N—Ga—N = 99.55(6), and N—Ga—C = 118.16(5)°.

Acyclische Liganden mit fixierter Koordinationsgeometrie, 1:2-Komplexe von Cobalt(II) mit den Anionen von 2.2′-Dihydroxydiphenyloxid und -sulfid -Kristall-und Molekülstruktur von Natrium-bis[diphenylsulfid-2.2′ -diolato(2-)]cobaltat(II>- Aceton-Wasser (1/2/1) / Acyclic Ligands with Fixed Coordination Geometry, I 1:2 Complexes of Cobalt(II) with the Anions of 2,2′-Dihyydroxydiphenyloxide and -sulfide - Crystal and Molecular Structure of Sodium bis[diphenylsulfide-2,2′-diolato(2-)]cobaltate(II)- Acetone-Water (1/2/1)

1982 ◽  
Vol 37 (3) ◽  
pp. 341-347 ◽  
Author(s):  
Hartmut Müller ◽  
Arno Holzmann ◽  
Winfried Hinrichs ◽  
Günter Klar
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Coordination Geometry ◽  
Normal Range ◽  
X Ray ◽  
Chelating Ligand ◽  
Acetone Water ◽  
Acyclic Ligands

The synthesis of bis[diphenylchalcogenide-2,2′-diolate(2-)]-cobaltate(II) compounds is described. In these complexes diphenyloxide-2,2′-diolate acts as a bidentate, diphenylsulfide- 2,2′-diolate as a tridentate chelating ligand leading to tetrahedral or octahedral coordinated cobalt(II), resp. An X-ray analysis of sodium bis[diphenylsulfide-2,2′-diolate(2-)]cobaltate(II)-acetonewater (1/2/1) shows the ligands to occupy fac-, their sulfur atoms cis-positions. The Co-0 distances (average 204.5 pm) are in the normal range while the C-S distances (average 248.5 pm) are longer than usually found indicating weaker bonds to sulfur than to oxygen.

Crystal and molecular structure of [dimethyl(1-pyrazolyl)(2-pyridyl-methoxy)gallato-N2,O,N3](η3-allyl)dicarbonylinolybdenum(II)

1988 ◽  
Vol 66 (3) ◽  
pp. 355-358 ◽  
Author(s):  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Nitrogen Atom ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Coordination Geometry ◽  
Pyridyl Nitrogen ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths

Crystals of [dimethyl(1-pyrazolyl)(2-pyridylmethoxy)gallato-N2,O,N3](η3-allyl)dicarbonylmolybdenum(II) are triclinic, a = 9.632(2), b = 9.798(2), c = 10.255(2) Å, α = 80.16(1), β = 87.38(1), γ = 81.75(1)°, Z = 2, space group [Formula: see text]. The structure was solved by conventional heavy-atom methods and was refined by full-matrix least-squares procedures to R = 0.033 and Rw = 0.037 for 3000 reflections with I ≥ 3σ(I). The molecule has pseudo-octahedral coordination geometry with the tridentate [Me2Ga(N2C3H3)(OCH2(C5H4N))]− ligand facially coordinated and the η3-allyl ligand occupying one coordination site trans to the pyridyl nitrogen atom. Important bond lengths are Mo—O = 2.219(2), Mo—N(py) = 2.212(3), Mo—N(pz) = 2.232(2), Mo—C(allyl) = 2.290(4), 2.189(4), 2.341(4), Mo—CO (trans to O) = 1.928(4), and Mo—CO (trans to N) = 1.952(4) Å.

Synthesis and Crystal and Molecular Structure of trans-Dichloro(ethanedial dioximato(1—)-N,N')(ethanedial dioxime-N,N')rhodium(III)

1989 ◽  
Vol 44 (1) ◽  
pp. 5-8
Author(s):  
Michel Mégnamisi-Bélombé
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Crystallographic Direction ◽  
Monoclinic Space Group ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cl Atoms

Abstract trans-Dichloro(ethanedial-dioximato)(ethanediaI-dioxime)rhodium (III), RhCl2(GH)(GH2), has been synthesized and its structure determined by single crystal X-ray diffraction at room temperature. C4H7Cl2N4O4Rh, Mr = 348.94. monoclinic space group P21/ɑ; a = 10.543(3), b = 8.363(2), c = 11.512(3)Å ; β = 92.79(2)°; V = 1024Å3; Z = 4; Dc = 2.26 Mg m-3. Final Rw = 0.075 for 2035 reflections and 139 parameters. The coordination geometry around Rh is a dis­torted (4+2) octahedron, with four chelating N atoms lying in the equatorial plane and the two Cl atoms in the apical positions. The H atoms of the oxime groups are involved in relatively weak intramolecular O-H-O bridgings, as well as in very strong intermolecular bridgings which extend throughout the crystal structure and propagate nearly parallel to the [101] crystallographic direction.

Structural studies of steric effects in phosphine complexes. Part VII. Synthesis, crystal and molecular structure of the chloroperchloratotri(o-tolyl)phosphinemercury(II) dimer

1979 ◽  
Vol 57 (17) ◽  
pp. 2217-2222 ◽  
Author(s):  
Elmer C. Alyea ◽  
Shelton Dias ◽  
George Ferguson ◽  
Masood Khan
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Cone Angle ◽  
Mercury Atom ◽  
Intramolecular Interactions ◽  
Coordination Geometry ◽  
Structural Studies ◽  
Orthorhombic Space Group ◽  
Phosphine Complexes ◽  
Trigonal Bipyramidal

The synthesis and crystal and molecular structure of the chloroperchloratotri(o-tolyl)phosphinemercury(II) dimer are reported. The compound [HgP(o-tolyl)3ClClO4]2 belongs to the orthorhombic space group Pbca [Formula: see text] with a = 12.218(2), b = 13.814(2), c = 26.074(3) Å, and Z = 4. The structure was refined to a final R of 0.046 for 2584 reflections measured by diffractometer. The crystal structure consists of discrete centrosymmetric dimeric molecules of [HgP(o-tolyl)3ClClO4]2 separated by normal van der Waals distances. The unique mercury atom forms two strong bonds (Hg—P 2.395(3), Hg—Cl(1) 2.332(4) Å) which deviate from linearity (P—Hg—Cl 164.1(1)°) and two weak bonds (Hg—O(1) 2.73(2) to the perchlorato group, Hg—Cl(1 *) 3.109(4) Å linking the mercury atoms about centers of symmetry). The four-fold coordination geometry about each mercury can be described as trigonal bipyramidal with the phosphorus and Cl(1) axial, and one equatorial site unoccupied. Intramolecular interactions are discussed with the assistance of cone angle calculations and a ligand profile for P(o-tolyl)3 (θ = 198°). Vibrational and 31P nmr spectra data are also presented for [HgP(o-tolyl)3ClClO4]2.

Zinc 3,5-dimethylpyrazolate complexes: synthesis and structural studies. The crystal and molecular structure of [Zn2(dmpz)4(Hdmpz)2]

1990 ◽  
Vol 68 (9) ◽  
pp. 1494-1498 ◽  
Author(s):  
Martin K. Ehlert ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
Robert C. Thompson ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
High Yield ◽  
Coordination Geometry ◽  
Structural Studies ◽  
Full Matrix ◽  
Space Group

Zinc metal reacts with excess 3,5-dimethylpyrazole (Hdmpz) in the presence of O2 to produce materials of composition Zn(dmpz)2(Hdmpz)y. Thermolysis of these materials results in the loss of Hdmpz and the formation of the [Zn(dmpz)2]x polymer. Under appropriate conditions the pure dimer [Zn2(dmpz)4(Hdmpz)2] can be obtained in high yield. Crystals of bis[μ-(3,5-dimethylpyrazolyl-N1,N2)]bis[(3,5-dimethylpyrazolyl)(3,5-dimethylpyrazole)zinc(II)] are orthorhombic, a = 17.009(2), b = 29.239(2), c = 13.590(2) Å, Z = 8, space group Fddd. The structure was solved by heavy atom methods and was refined by full-matrix least-squares procedures to R = 0.037 and Rw = 0.042 for 913 reflections with I ≥ 3σ(I). The structure of [Zn2(dmpz)4(Hdmpz)2] contains nearly planar doubly dmpz bridged Zn2 units capped at each end by strongly hydrogen-bonded [Formula: see text] units. The zinc atoms display pseudotetrahedral coordination geometry with Zn—N = 1.991(3) (bridging) and 2.025(3) Å (terminal), and N—Zn—N = 99.6(2)–113.8(2)°. Keywords: zinc 3,5-dimethylpyrazolate complexes, crystal structure.

Phenylimido complexes of tungsten(VI) and tungsten(V). The crystal and molecular structure of Trichloro(phenylimido)bis(trimethylphosphine)tungsten(V)

1983 ◽  
Vol 36 (2) ◽  
pp. 243 ◽  
Author(s):  
AJ Nielson ◽  
JM Waters
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Multiple Bond ◽  
Coordination Geometry ◽  
Fourier Methods ◽  
X Ray ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral ◽  
Tetrahydrofuran Solution

Tetrachloro(phenylimido)tungsten(VI) is reduced by trimethylphosphine in tetrahydrofuran solution to give the tungsten(V) complex PhNWCl3(Pme3)2 in which the phenylimido multiple bond remains intact. The complex reacts with oxygen to form the phosphine oxide complex PhNWCl3 (OPMe3)2. Pyridine and alkyl cyanides do not reduce tetrachloro(phenylimido)tungsten(V1) but give the adducts PhNWCl4.L (L = py, MeCN, EtCN). The crystal and molecular structure of the title complex has been determined from single-crystal X-ray diffractometer data. The crystals are monoclinic with a 14.903, b 10.221, c 14.380Š β 116.05�, space group P21/c, Z 4. The structure has been solved by Patterson and Fourier methods and refined to R 0.030 for the 1566 observed data. Distorted octahedral coordination geometry is found with two trans trimethylphosphine and two trans chloride ligands; a third chloride is trans to the phenylimido group. The W-N(imido) bond length is 1.731 �.

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