Five-coordinate iron and manganese dinitrosyl complexes incorporating tridentate chelating dimethyl(N,N-dimethylethanolamino)(pyrazolyl)gallate ligands: crystal and molecular structure of [Me2Ga(N2C5H7)(OCH2CH2NMe2)]Fe(NO)2

1979 ◽  
Vol 57 (23) ◽  
pp. 3113-3118 ◽  
Author(s):  
Kenneth S. Chong ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Iron Complex ◽  
Coordination Geometry ◽  
Full Matrix ◽  
Trigonal Bipyramidal ◽  
Dinitrosyl Complexes ◽  
Molecular Dimensions ◽  
Iron And Manganese ◽  
Distorted Trigonal Bipyramidal

Novel neutral monomeric five-coordinate manganese and iron dinitrosyl compounds incorporating asymmetric tridentate anionic gallate ligands are described. The crystal structure of the formally "19-electron" iron complex [Me2Ga(N2C5H7)(OCH2CH 2NMe2)]Fe(NO)2 has been determined. Crystals of [dimethyl(N,N-dimethylethanolamino)(3,5-dimethylpyrazolyl)gallato (N(2),N(3),O)]dinitrosyliron(I) are monoclinic, a = 7.3079(6), b = 14.274(1), c = 17.076(1) Å, β = 91.709(4)°, Z = 4, space group P21/c. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to R = 0.034 and Rw = 0.046 for 2848 reflections with I ≥ 3σ(I). The crystal structure consists of discrete monomeric units. The coordination geometry about the iron atom is distorted trigonal-bipyramidal with the tridentate gallate ligand acting in a meridional fashion, occupying one equatorial and both axial positions. The two nitrosyl groups occupy the other two equatorial sites and both Fe—N—O groupings are considerably bent toward one another in the equatorial plane. Important mean molecular dimensions (distances corrected for libration) are: Fe—O, 2.037(3), Fe—N(pyrazolyl), 2.112(3), Fe—N(amino), 2.279(3), Fe—NO, 1.710(3), N—O, 1.153(5), Ga—O, 1.916(3), Ga—N, 1.975(3), Ga—C, 1.972(6) Å, and Fe—N—O, 158.6(7)°.

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.

scholarly journals Crystal structure of tricarbonyl(N-diphenylphosphanyl-N,N′-diisopropyl-P-phenylphosphonous diamide-κ2P,P′)cobalt(I) tetracarbonylcobaltate(−I) toluene 0.25-solvate

2014 ◽  
Vol 70 (12) ◽  
pp. 533-535
Author(s):  
Laura Dura ◽  
Anke Spannenberg ◽  
Torsten Beweries
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Structural Element ◽  
Trigonal Bipyramidal ◽  
Toluene Molecule ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Interionic Hydrogen ◽  
Distorted Trigonal Bipyramidal

The asymmetric unit of the title compound, [Co(C24H30N2P2)(CO)3][Co(CO)4]·0.25C7H8, consists of two crystallographically independent cations with similar conformations, two anions, and one-half of a toluene molecule disordered about an inversion centre. In the cations, a Co/P/N/P four-membered slightly bent metallacycle is the key structural element. The pendant NH group is not coordinated to the CoIatom, which displays a distorted trigonal–bipyramidal coordination geometry. Weak interionic hydrogen bonds are observed between the NH groups and a carbonyl group of the tetrahedral [Co(CO)4]−anions.

scholarly journals Crystal structure of dibromido(N,N-dimethylformamide-κO){2-(1H-indol-3-yl)-N-[(quinolin-2-yl-κN)methylidene]ethanamine-κN}cadmium

2015 ◽  
Vol 71 (2) ◽  
pp. m31-m32 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Natalia O. Sharkina ◽  
Yuliya M. Davydenko
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Equatorial Plane ◽  
Title Complex ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the mononuclear title complex, [CdBr2(C20H17N3)(C3H7NO)], synthesized from the quinoline-derived Schiff base 2-(1H-indol-3-yl)-N-(quinolin-2-ylmethylene)ethanamine (IQME), the coordination geometry around the Cd2+atom is distorted trigonal bipyramidal, the axial positions being occupied by the quinoline N atom [Cd—N = 2.401 (3) Å] and one dimethylformamide O-atom donor [Cd—O = 2.399 (2) Å]. The equatorial plane is formed by the imine N atom [Cd—N = 2.293 (3) Å] and two bromides [Cd—Br = 2.5621 (8) and 2.5676 (8) Å], with the deviation of the CdIIatom from the equatorial plane being 0.046 (1) Å. An intramolecular C—H...Br interaction occurs. In the crystal, N—H...Br interactions generate [101] chains.

Synthesis and characterization of octahedral and trigonal bipyramidal transition metal complexes incorporating chelating gallate ligands: crystal and molecular structure of [Me2Ga(N2C5H7)(OCH2CH2NMe2)]Ni[(N2C5H7)2GaMe2]

1980 ◽  
Vol 58 (11) ◽  
pp. 1091-1100 ◽  
Author(s):  
Kenneth S. Chong ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Transition Metal Complexes ◽  
Crystal And Molecular Structure ◽  
Synthesis And Characterization ◽  
Chelating Ligands ◽  
Full Matrix ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

The preparation and physical properties of octahedral and trigonal bipyramidal complexes incorporating the tris-chelating ligands [Me2Ga(N2C5H7)(OCH2CH2NR′2)]− (R′ = H or Me) are described. Crystals of [dimethylbis(3,5-dimethyl-1-pyrazolyl)gallato (N(2),N′(2))][dimethyl (3,5 - dimethyl-1-pyrazolyl) (N,N-dimethylethanolamino(gallato (N(2), O, N(3))]nickel(II) are triclinic, a = 20.8562(11), b = 9.1536(4), c = 8.2798(4) Å, α = 100.204(3), β = 85.513(4), γ = 101.989(3)°, Z = 2, space group [Formula: see text]. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to R = 0.048 and Rw = 0.078 for 5508 reflections with I ≥ 3σ(I). The coordination about the Ni atom is distorted trigonal bipyramidal with the two nitrogen atoms from the Me2Ga(N2C5H7)2 ligand occupying equatorial positions. The tridentate Me2Ga(N2C5H7)(OCH2CH2NMe2) ligand is meridionally coordinated with the oxygen in the equatorial and the two nitrogens in the axial positions. Important bond lengths (corrected for libration) are: Ni—N(eq), 2.005(3) and 2.006(3), Ni—O, 1.993(3), Ni—N(pz—ax), 2.072(3), Ni—N(amino), 2.229(3), Ga—O, 1.913(3), Ga—N, 1.971(3)–1.989(3), and Ga—C, 1.961(10)–1.986(6) Å.

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.

Crystal and Molecular Structure of the N-Methyldiethanolaminogallane Dimer, [CH3N(CH2CH2O)2GaH]2

1974 ◽  
Vol 52 (12) ◽  
pp. 2206-2215 ◽  
Author(s):  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Experimental Error ◽  
Crystal And Molecular Structure ◽  
Fourier Synthesis ◽  
Full Matrix ◽  
Axial Ligands ◽  
Trigonal Bipyramidal ◽  
The Mean ◽  
Distorted Trigonal Bipyramidal

Crystals of the N-methyldiethanolaminogallane dimer are orthorhombic, a = 19.112(4), b = 9.947(2), c = 7.709(2) Å, Z = 4, space group P212121. The structure was determined by Patterson and Fourier synthesis and was refined by full-matrix least-squares procedures to a final R of 0.056 for 1477 observed reflections. The structure provides the first1 known crystallographic example of pentacoordinate gallium, the dimerization of MeN(CH2CH2O)2GaH occurring via the formation of a four-membered Ga2O2 ring. The coordination about the gallium is distorted trigonal bipyramidal with an angle of 151.2(4)° between the axial substituents. The mean bond distances are: Ga—N, 2.192(5), and Ga—O, 2.018(2) for axial ligands; Ga—O, 1.847(2), 1.960(8), and Ga—H, 1.41(4) for equatorial ligands; O—C, 1.419(14), C—N, 1.470(7), C—C, 1.520(12), and C—H, 1.00(13) Å. The molecule has C2 symmetry to within experimental error. There are possible [Formula: see text] hydrogen bonds ([Formula: see text] 3.13(1)–3.44(1) Å) in the structure.

scholarly journals Dibromido{N′-[1-(pyridin-2-yl)ethylidene]picolinohydrazide-κ2 N′,O}cadmium

2012 ◽  
Vol 68 (6) ◽  
pp. m842-m842 ◽  
Author(s):  
Mehmet Akkurt ◽  
Ali Akbar Khandar ◽  
Muhammad Nawaz Tahir ◽  
Seyed Abolfazl Hosseini Yazdi ◽  
Farhad Akbari Afkhami
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Tridentate Ligand ◽  
Stacking Interactions ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal ◽  
Centroid Distance ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Distorted Trigonal Bipyramidal

The title compound, [CdBr2(C13H12N4O)], was obtained from the reaction of Cd(NO3)2·4H2O with methyl(pyridin-2-yl)methanone picolinoylhydrazone and sodium bromide. The Cd2+ cation is ligated by one O atom and two N atoms of the tridentate ligand and two bromide anions, forming a Br2CdN2O polyhedron with a distorted trigonal–bipyramidal coordination geometry. In the crystal, non-classical C—H...Br hydrogen bonds are observed. In addition, π–π stacking interactions [centroid–centroid distance = 3.7455 (19) Å] contribute to the stabilization of the crystal structure.

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.

scholarly journals Crystal structure of chlorido{tris[2-(isopropylsulfanyl)phenyl]phosphane-κ4 P,S,S′,S′′}nickel(II) trifluoromethanesulfonate

2019 ◽  
Vol 75 (3) ◽  
pp. 350-353
Author(s):  
Nobuhiro Takeda ◽  
Rin Oma ◽  
Masafumi Unno
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Equatorial Plane ◽  
Complex Cation ◽  
Methyl Groups ◽  
Coordination Geometry ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal Coordination ◽  
Cl Atom ◽  
Distorted Trigonal Bipyramidal

The complex cation of the title compound, [NiCl{P(C6H4-2-S-i-Pr)3}](CF3SO3), has a slightly distorted trigonal–bipyramidal coordination geometry in which three S atoms are located in the equatorial plane, and one P and one Cl atom in the apical positions. In the cation, there are two intramolecular C—H...S hydrogen bonds. In the crystal, there are some intermolecular C—H...O and C—H...F hydrogen bonds formed between the cation and the anion. The trifluoromethanesulfonate anion and one of the methyl groups are both disordered over two sets of sites with occupancies of 0.629 (17):0.371 (17) and 0.786 (14):0.214 (14), respectively.

L-Proline derivatives of gallium trimethyl and gallium triethyl: crystal and molecular structure of L-prolinatodimethylgallium

1977 ◽  
Vol 55 (24) ◽  
pp. 4174-4179 ◽  
Author(s):  
Kenneth R. Breakell ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Gallium Atom ◽  
Full Matrix ◽  
Trigonal Bipyramidal ◽  
A Chain ◽  
Proline Derivatives ◽  
Derivatives Of ◽  
Distorted Trigonal Bipyramidal

Crystals of L-prolinatodimethylgallium are orthorhombic, a = 10.624(2), b = 10.567(4), c = 8.2268(6) Å, Z = 4, space group P212121. The structure was solved by direct methods and was refined by full-matrix least squares procedures to a final R of 0.029 and Rw of 0.035 for 1109 reflections with I ≥ 3σ(I). Details of the preparation and physical properties of L-prolinatodimethylgallium and L-prolinatodiethylgallium are given. The crystal structure of L-prolinatodimethylgallium consists of molecules each linked to two others by weak Ga—O bonds (2.695(3) Å) and N—H … O hydrogen bonds (N … O = 2.901(4) Å) to form a chain-like polymeric structure extending along the b axis. The gallium atom is five-coordinate and has distorted trigonal bipyramidal geometry. Important bond lengths are: Ga—O (axial), 2.044(3) and 2.695(3); Ga—N, 2.035(3); and Ga—C, 1.942(5) and 1.958(5) Å

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