Cationic iron(III) complex with a hexadentate N2,N'2',O2-aminopyridylphenolate ligand

1999 ◽  
Vol 77 (12) ◽  
pp. 2033-2038 ◽  
Author(s):  
Ika A Setyawati ◽  
Steven J Rettig ◽  
Chris Orvig
Keyword(s):  
Heavy Atom ◽  
Crystallographic Analysis ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Cyclic Voltammogram ◽  
X Ray ◽  
R Factor ◽  
Distorted Octahedral ◽  
Elemental Analyses

Iron(III) complexation with potentially hexadentate H2bbpen (N,N'-bis(2-hydroxybenzyl)-N,N'-bis(2-methylpyridyl)ethylenediamine) was studied. The resulting monocationic complex, [Fe(bbpen)]+ as its NO3- and PF6- salts, was characterized by infrared spectroscopy, mass spectrometry, elemental analyses, cyclic voltammetry, and X-ray crystallographic analysis. Crystals of [Fe(bbpen)]NO3·CH3OH are monoclinic, space group P21/c, a = 10.2640(13), b = 14.7526(10), c = 18.3172(5) Å, β = 97.904(1)°, and Z = 4. The structure was solved by heavy-atom Patterson methods and refined to an R factor of 0.039 for 3526 reflections with I > 3σ(I). The structure of the [Fe(bbpen)]+ cation showed that the ligand is bound in a hexadentate fashion to the central Fe(III) ion, resulting in a distorted octahedral geometry. Magnetic susceptibility measurements indicated the presence of a high-spin Fe(III) ion, and the UV-vis spectrum of [Fe(bbpen)]NO3 exhibits absorption maxima, λmax, at 575 nm (ε = 5400 M-1 cm-1), 323 (8900), and 275 (13 500). The cyclic voltammogram of [Fe(bbpen)]NO3 showed a quasi-reversible, one-electron process corresponding to [FeIII(bbpen)]+ + e- <_> [FeII(bbpen)] at -0.47 V vs. SCE.Key words: cationic, iron(III), phenolate, pyridyl, hexadentate.

Structure cristalline et moléculaire du cis-dithiocyanatobis(phénanthroline-1,10)mercure(II), Hg(SCN)2(C12H8N2)2

1974 ◽  
Vol 52 (16) ◽  
pp. 2923-2927 ◽  
Author(s):  
André L. Beauchamp ◽  
Bernard Saperas ◽  
Roland Rivest
Keyword(s):  
Heavy Atom ◽  
Octahedral Geometry ◽  
Van Der Waals Interactions ◽  
Distorted Octahedral Geometry ◽  
Triclinic Space Group ◽  
Bond Lengths ◽  
R Factor ◽  
Distorted Octahedral ◽  
Phenanthroline Ligands ◽  
Heavy Atom Method

The compound cis-Hg(SCN)2(Phen)2 belongs to the triclinic space group [Formula: see text] with a = 13.252(5), b = 11.077(4), c = 8.443(3) Å, α = 105.20(3), β = 83.25 (3), γ = 90.92(3)°, and Z = 2. The structure was solved by the heavy atom method and refined on 1718 independent reflections to an R factor of 0.069. The crystal contains discrete molecules, in which mercury is coordinated to four nitrogen atoms from two phenanthroline molecules and to two sulfur atoms from thiocyanate groups. These donor atoms define a distorted octahedral geometry around mercury. The Hg—N bond lengths are in the range 2.42(2)–2.52(2) Å, whereas the Hg—S bonds are equal to 2.622(8) and 2.582(8) Å. The molecules are packed in layers parallel to the (110) planes and the layers are held together by normal van der Waals interactions. Within the layers, the packing of the complex is characterized by parallel stacking of phenanthroline ligands at distances of ∼3.4 Å. The terminal nitrogen atoms of the thiocyanate groups are uncoordinated.

Synthesis and Structure of cis-Dioxobis(pyrimidine-2-thiolato-N,S)molybdenum(VI)

1992 ◽  
Vol 45 (11) ◽  
pp. 1933 ◽  
Author(s):  
PR Traill ◽  
AG Wedd ◽  
ERT Tiekink
Keyword(s):  
Least Squares ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Monoclinic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

The characterization of two MoVI complexes, cis -[MoO2(2-pymS)2] and cis -[MoO2(2-pyS)2] (where 2-pymSH is pyrimidine-2-thiol and 2-pySH is pyridine-2-thiol), and their reaction with Ph3P are reported. The X-ray structure of cis -[MoO2(2-pymS)2] shows the molybdenum atom to exist in a distorted octahedral geometry defined by two mutually cis oxygen atoms and two chelating 2-pymS ligands so that the two sulfur atoms occupy approximate trans positions. Crystals of cis -[MoO2(2-pymS)2] are monoclinic, space group P 21/n, with unit cell dimensions: a 9.301(3), b 12.121(2), c 11.303(3) �, β 112.62(3)�, V 1176.3 �3, Z 4. The structure was refined by a full-matrix least-squares procedure to R 0.067 for 1858 reflections with I ≥ 2.5 (I).

Syntheses, crystal structures, and characterization of two Mn(II) coordination polymers with bis(4-(1H-imidazol-1-yl)phenyl)methanone ligands

2016 ◽  
Vol 71 (8) ◽  
pp. 869-874 ◽  
Author(s):  
Gao-Feng Wang ◽  
Xiao Zhang ◽  
Shu-Wen Sun ◽  
Hong Sun ◽  
Xia Yang ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractTwo Mn(II) complexes, {[Mn(BIPMO)2Cl2] · 2(H2O)}n (1) and {[Mn(BIPMO)2(SCN)2] · 2(CH3OH)}n (2) (BIPMO = bis(4-(1H-imidazol-1-yl)phenyl)methanone) with V-shaped BIPMO ligands, were synthesized and characterized by IR spectroscopy and elemental analyses along with their single-crystal X-ray diffraction analyses. The Mn(II) ions in 1 and 2 are both six-coordinated to four nitrogen atoms of four BIPMO ligands and two anions (Cl− for 1, and SCN− for 2) to form a distorted octahedral geometry.

Synthesis and structural characterization of Mn(II) and Cu(II) complexes with bis(4-(1H-imidazol-1-yl)phenyl)methanone ligands

2017 ◽  
Vol 72 (1) ◽  
pp. 83-87 ◽  
Author(s):  
Gao-Feng Wang ◽  
Xiao Zhang ◽  
Zhao-Rong Liu ◽  
Yu-Chun Wang ◽  
Hong-Shi Jiang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Octahedral Geometry ◽  
Helical Chain ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bridging Ligand ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractTwo complexes, {Mn(hfac)2(BIPMO)}n (1), {Cu(hfac)2(BIPMO)}n (2) [hfac=1,1,1,5,5,5-hexafluoro-pentane-2,4-dionato(–), BIPMO=bis(4-(1H-imidazol-1-yl)phenyl)methanone], with the V-shaped ligands were synthesized and characterized by infrared spectroscopy, elemental analyses, along with single-crystal X-ray diffraction analyses. The X-ray diffraction studies have shown that the metal ions in 1 and 2 are both six-coordinated to two nitrogen atoms of two BIPMO ligands and four oxygen atoms of two hfac ligands to form a distorted octahedral geometry. Each BIPMO ligand acts as a bridging ligand to link two adjacent metal(II) atoms to form a helical chain in the crystal structure.

Synthesis, Characterisation and Structural Studies of [Zn(phen)3][Fe(CN)5(NO)]·2H2O·0.25MeOH and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)]·0.5H2O

2003 ◽  
Vol 58 (9) ◽  
pp. 916-921 ◽  
Author(s):  
Amitabha Datta ◽  
Samiran Mitra ◽  
Georgina Rosair
Keyword(s):  
Infrared Spectroscopy ◽  
Thermogravimetric Analysis ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Structural Studies ◽  
Crystal Lattices ◽  
X Ray ◽  
X Ray Crystallography ◽  
Distorted Octahedral ◽  
Solvent Molecules

Two new bimetallic complexes [Zn(phen)3][Fe(CN)5(NO)] · 2 H2O · 0.25 MeOH, (1) and [(bipy)2(H2O)Zn(μ-NC)Fe(CN)4(NO)] · 0.5 H2O, (2), have been isolated (where phen = 1,10-phenanthroline and bipy = bipyridyl) and characterised by X-ray crystallography [as the 2 H2O · 0.25 CH3OH solvate for (1) and hemihydrate for (2)] infrared spectroscopy and thermogravimetric analysis. Substitution of phenanthroline for bipyridyl resulted in a cyano-bridged bimetallic species rather than two discrete mononuclear metal complexes. The bond angles of Fe-N-O were shown to be practically linear for both 1 [179.2(7)°] and 2 [178.3(3)°], and the Zn atoms have distorted octahedral geometry. The solvent molecules in both crystal lattices take part in forming hydrogen-bonded networks.

The Crystal Structure of KIO3.HIO3

1971 ◽  
Vol 49 (3) ◽  
pp. 468-476 ◽  
Author(s):  
Lilian Y. Y. Chan ◽  
F. W. B. Einstein
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray ◽  
R Factor ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Potassium Hydrogen ◽  
A Cell ◽  
Least Squares Techniques

The crystal structure of potassium hydrogen di-iodate (bi-iodate) KIO3.HIO3 was determined from three dimensional X-ray data collected by counter methods. The structure was refined by full-matrix least-squares techniques to a conventional R factor of 5.0 % for the 1392 observed reflexions. The salt crystallizes in the monoclinic space group P21/c with eight formula units in a cell of dimension a = 7.028(1) Å, b = 8.203(1) Å, c = 21.841(3) Å, β = 98.03(1)°.The iodate units are all basically pyramidal; weak interionic I—O contacts complete a very distorted octahedral environment around three iodine atoms. There is a capped octahedral (7-coordinate) environment around the remaining iodine atom. The I—O bonds are in the range 1.75–1.82 Å and the I—OH bonds are 1.91 and 1.95 Å, variations in length can be correlated with differences in the degree of involvement in (a) hydrogen bonding and (b) interaction with adjacent iodine atoms.

Reactions of But-2-yne and Hexafluorobut-2-yne with Dicarbonyl(η-pentamethylcyclopentadienyl)-cobalt, -rhodium and -iridium. Structure of the iridium complex (η-C5Me5)Ir2(CO)2(CF3C2CF3)3H

1978 ◽  
Vol 31 (9) ◽  
pp. 1937 ◽  
Author(s):  
PA Corrigan ◽  
RS Dickson ◽  
GD Fallon ◽  
LJ Michel ◽  
C Mok
Keyword(s):  
Major Product ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Iridium Complex ◽  
Orthorhombic Space Group ◽  
Reaction Conditions ◽  
R Factor ◽  
Distorted Octahedral ◽  
A Cell ◽  
Dirhodium Complexes

The reactions of but-2-yne and hexafluorobut-2-yne with the complexes (η-C5Me5)M(CO)2, M = CO, Rh, or Ir, have been compared. A cyclopentadienone complex, (η-C5Me5)M[C4Me4CO]2 is the major product formed in the reaction of but-2-yne with (η-C5Me5)M(CO)2, M = Co or Rh. The cobalt system also gives some hexamethylbenzene whereas the rhodium system yields the pentadienone-dirhodium complex (q-C5Me5)2Rh2(MeC2Me)2CO. The cyclopentadienone complexes (η-C5Me5)M[C4(CF3)4CO], M = CO and Rh, were major products from the reactions of hexa- fluorobut-2-yne with (η-C5Me5)M(CO)2. Hexakis(trifluoromethyl)benzene and the tetrahapto- benzene complexes (η-C5Me5)M[η4-C6(CF3)6], M = Co or Rh, were minor products from these reactions. Small amounts of the dirhodium complexes (η-C5Me5)2Rh2(CF3C2CF3)2(CO)n, n = 1 or 2, were also isolated from the rhodium system under some reaction conditions. No products could be isolated from the reaction between (η-C5Me5)Ir(CO)2 and but-2-yne, but the reaction with hexafluorobut-2-yne gives two organoiridium complexes. One complex, (η-C5Me5)Ir(CO)2(CF3C2CF3), incorporates an iridiocyclobutenone ring and one terminal carbonyl. The second, (η-Ir5Me5)Ir2(CO)2(CF3C2CF3)3H, has been characterized crystallographically. The compound crystallizes with four molecules in the orthorhombic space group Pnma in a cell of di- mensions a 14.262(5), b 13.293(5), c 15.027(5) Ǻ. The structure has been refined by standard methods to a conventional R factor of 0.072, based on 2061 reflections above background. The environments of the two iridium atoms are markedly different. One forms part of a metallopentadiene ring, and it is also attached to two terminal carbonyls, a σ-bonded C(CF3)=C(CF3)H group, and the other iridium atom [Ir-Ir distance 2.737(1) Ǻ]. Overall, this iridium has a distorted octahedral geometry. The second iridium is n-bonded in a conventional sandwich manner to the C5Me5 and iridiocycle rings; these two rings have a staggered conformation and are close to parallel.

Two New Copper (II) Complexes with the Same NNO Donor Schiff Base Ligand: A Monomer and a Dimer

2012 ◽  
Vol 67 (3) ◽  
pp. 192-196
Author(s):  
Bao Lin Liu ◽  
Yan Xia Wang ◽  
Ruo Jie Tao
Keyword(s):  
Experimental Data ◽  
Thermal Analysis ◽  
Schiff Base ◽  
Magnetic Measurements ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Antiferromagnetic Exchange ◽  
X Ray ◽  
Distorted Octahedral ◽  
Best Fit

Two new copper(II) complexes, [(CuL)2(μ1,1-N3)2]・2H2O (1) and [Cu(HL)(2,2ʹ-bipy)- (CH3COO)]・ClO4・H2O (2), have been synthesized using the tridentate NNO Schiffbase ligand 2- [(2-aminoethylimino)methyl]-6-methoxyphenol (HL). They have been characterized by elemental analysis, IR spectroscopy, thermal analysis, and single-crystal X-ray analysis. The copper environment is distorted square pyramidal in complex 1: two nitrogen atoms and one oxygen atom from the ligands and two nitrogen atoms from two azido ligands build the coordination polyhedron around the copper atom. The Cu-Nazide-Cu angle in complex 1 is 85.6°. This is unusually small in comparison with the same angle in other end-on doubly azido-bridged dimers. Complex 2 is mononuclear with the Cu atom having a slightly distorted octahedral geometry. Magnetic measurements of 1 have been performed in the temperature range from 2 to 300 K. The experimental data indicate an antiferromagnetic exchange interaction between copper(II) ions bridged by the azido ligand. The best-fit parameters for complex 1 are g = 2.18 and J = −1.31 cm−1.

Two ZnIImononuclear coordination compounds with pyridinedicarboxylate and auxiliaryN-(pyridin-4-ylmethylidene)hydroxylamine ligands

2014 ◽  
Vol 70 (12) ◽  
pp. 1101-1104 ◽  
Author(s):  
Eduard B. Coropceanu ◽  
Ana Dreab ◽  
Lilia Croitor
Keyword(s):  
Single Crystal ◽  
Coordination Compounds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
X Ray ◽  
Trigonal Bipyramidal Coordination ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral

Two new mononuclear coordination compounds, bis{4-[(hydroxyimino)methyl]pyridinium} diaquabis(pyridine-2,5-dicarboxylato-κ2N,O2)zincate(II), (C6H7N2O)2[Zn(C7H3NO4)2(H2O)2], (1), and (pyridine-2,6-dicarboxylato-κ3O2,N,O6)bis[N-(pyridin-4-ylmethylidene-κN)hydroxylamine]zinc(II), [Zn(C7H3NO4)(C6H6N2O)2], (2), have been synthesized and characterized by single-crystal X-ray diffractometry. The centrosymmetric ZnIIcation in (1) is octahedrally coordinated by two chelating pyridine-2,5-dicarboxylate ligands and by two water molecules in a distorted octahedral geometry. In (2), the ZnIIcation is coordinated by a tridentate pyridine-2,6-dicarboxylate dianion and by twoN-(pyridin-4-ylmethylidene)hydroxylamine molecules in a distortedC2-symmetric trigonal bipyramidal coordination geometry.

Die Kristallstruktur von PPh4[MoOCl4(OCHNMe2)] / The Crystal Structure of PPh4[MoOCl4(OCHNMe2)]

1986 ◽  
Vol 41 (4) ◽  
pp. 523-526 ◽  
Author(s):  
Dieter Fenske ◽  
Kay Jansen ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Carbon Tetrachloride ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Dimethyl Formamide ◽  
Structural Investigations ◽  
X Ray ◽  
Distorted Octahedral ◽  
Cell Dimensions ◽  
Ray Methods

Green crystals of the title compound are formed in the reaction of (PPh4)2 [Mo2(O2C -Ph)4Cl2] ·2 CH2Cl2 with dimethyl formamide/carbon tetrachloride in the presence of water. According to the structural investigations by X-ray methods PPh4[MoCl4(O CHNMe2)] crystallizes orthorhombically in the space group C2221 with four formula units per unit cell (3132 observed, independent reflexions, R - 0.068). The cell dimensions are a = 792.1 pm, b = 1656.8 pm, c = 2211.3 pm. The structure consists of PPh4⊕ cations and anions [MoOCl4(OCHNMe2)]⊖, in which the coordination sphere of the molybdenum atom is of distorted octahedral geometry. The ligands are four equatorial chlorine atoms, one terminal O atom (Mo = O 165 pm) and the O atom of the dimethyl formamide molecule (MoO 232 pm). The IR spectrum is reported

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