Three novel mononuclear Mn(iii)-based magnetic materials with square pyramidal versus octahedral geometries

2017 ◽  
Vol 41 (19) ◽  
pp. 10890-10898 ◽  
Author(s):  
Malay Dolai ◽  
Abhishake Mondal ◽  
Jun-Liang Liu ◽  
Mahammad Ali
Keyword(s):  
Single Crystal ◽  
Magnetic Materials ◽  
Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry ◽  
Packing Effects

Single crystal X-ray diffraction studies reveal that complexes 1 and 2 have square pyramidal geometry and 3 has octahedral geometry, which showed a dependence of negative anisotropy (D) values on the electronic, geometry and packing effects.

scholarly journals Single-crystal ESR and X-Ray Crystallographical Studies of a Binuclear Copper(II) Complex with a Coaxially Stacked Square-pyramidal Geometry

1984 ◽  
Vol 57 (6) ◽  
pp. 1454-1458 ◽  
Author(s):  
Yuji Kajikawa ◽  
Tosio Sakurai ◽  
Nagao Azuma ◽  
Shizue Kohno ◽  
Sei Tsuboyama ◽  
...  
Keyword(s):  
Single Crystal ◽  
Binuclear Copper ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

Synthesis, Crystal Structure and Antimicrobial Activity of Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]

2020 ◽  
Vol 42 (6) ◽  
pp. 928-928
Author(s):  
Fouzia Chang Fouzia Chang ◽  
Najma Memon Najma Memon ◽  
Shahabuddin Memon Shahabuddin Memon ◽  
Muhammad Naeem Ahmed Muhammad Naeem Ahmed ◽  
Muhammad Nawaz Tahir Muhammad Nawaz Tahir ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Room Temperature ◽  
Central Metal Atom ◽  
Central Metal ◽  
Single Crystal Xrd ◽  
Monoclinic System ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

A novel Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]/(C12H7CuN3O7) was synthesized by a self assemble method at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P 2 1/c with lattice parameters of a = 10.2143, b = 5.1651 and c = 26.608, α = 90, β = 99.720, γ = 90, Z = 4, V = 1383.60 (18) and#197;3.Pore size depicted from single crystal XRD data was 47and#197;. The central metal atom Cu (II) is coordinated with oxygen of carboxylates group and nitrogen atom of pyridine. The coordination polyhedron posses square pyramidal geometry is manifested by the N— Cu—O angle of 90o. The structure is composed of monomeric coordination units with the central copper (II) ion is not occupying a centre of symmetry.

scholarly journals Crystal structure of an unknown solvate of {2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato-κ4O,N,N′,O′}(N-ferrocenylisonicotinamide-κN1)cobalt(II): a CoII–salen complex that forms hydrogen-bonded dimers

2015 ◽  
Vol 71 (9) ◽  
pp. 1100-1104
Author(s):  
Bryan Brautigam ◽  
Chelsea Herholdt ◽  
William Farnsworth ◽  
Ellen Brudi ◽  
Eric McDonald ◽  
...  
Keyword(s):  
Ring Structure ◽  
X Ray Diffraction ◽  
Acta Cryst ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Salen Complex ◽  
Hydrogen Bonding Interactions ◽  
Solvent Molecules ◽  
Square Pyramidal Geometry ◽  
Hydrogen Bonded

The title compound, [CoFe(C5H5)(C16H14N2O2)(C11H9N2O)], was prepared as an air-stable red–brown solid by mixing equimolar amounts of {2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}cobalt(II) andN-ferrocenylisonicotinamide in dry dichloromethane under nitrogen and was characterized by ESI–MS, IR, and single-crystal X-ray diffraction. The structure at 100 K has triclinic (P-1) symmetry and indicates that the complex crystallizes as a mixture of λ and δ conformers. It exhibits the expected square pyramidal geometry about Co, and forms hydrogen-bonded dimers through amide N—H groups and phenolate O atoms on an adjacent molecule. The involvement of only half of the salen ring structure in hydrogen-bonding interactions results in slight folding of the salen ring away from the pyridine coordination site in the δ conformer with an inter-salicylidene fold angle of 9.9 (7)°. In contrast, the λ conformer is nearly planar. The dimers pack into an open structure containing channels filled with highly disordered solvent molecules. These solvent molecules' contributions to the intensity data were removed with the SQUEEZE procedure [Spek (2015).Acta Cryst.C71, 9–18] available inPLATON.

Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue

1998 ◽  
Vol 63 (3) ◽  
pp. 356-362 ◽  
Author(s):  
Svetlana Pakhomova ◽  
Jan Ondráček ◽  
František Jursík
Keyword(s):  
Molecular Structure ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Carbonyl Oxygen ◽  
Antiferromagnetic Coupling ◽  
X Ray Diffraction ◽  
Apical Position ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

Single-crystal X-ray diffraction study established the dimeric [Cu2(ohb-(S)-Ala)2] structure (ohb-(S)-Ala = N-(2-hydroxybenzyl-(S)-alaninate). The complex crystallizes in the tetragonal space group P43212 with a = b = 8.849(1) Å, c = 24.913(2) Å, V = 1950.8(3) Å3, Z = 8. The Cu(II) ion has distorted square-pyramidal geometry with the equatorial positions occupied by three oxygen and one nitrogen atom. Each copper atom is weakly coordinated at the apical position by carbonyl oxygen atom of the neighbouring molecule at the distance 2.329(2) Å. The Cu-Cu separation 3.0204(7) Å and the Cu-O3-Cu angle 100.8(1)° lead to antiferromagnetic coupling (at room temperature μeff = 1.35 μB). The O1-Cu-O3 angle (154.9(1)°) indicates distortion of the square pyramid toward a trigonal bipyramid (t = 0.23).

Oligophosphan-Liganden, XIV [1] Bis(distickstoff)molybdän-KomplexeMo(N2)2[PhP(CH2CH2CH2PPh2)2](PR3) / Oligophosphine Ligands, XIV [1] Bis(dinitrogen)molybdenum Complexes Mo(N2)2[PhP(CH2CH2CH2PPh2)2](PR3)

1986 ◽  
Vol 41 (1) ◽  
pp. 70-75 ◽  
Author(s):  
Lutz Dahlenburg ◽  
Bernd Pietsch
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
Nmr Spectra ◽  
Nitrogen Atmosphere ◽  
Octahedral Geometry ◽  
X Ray Diffraction ◽  
Molybdenum Complexes ◽  
X Ray ◽  
Sodium Amalgam ◽  
Dinitrogen Complexes

The reaction of MoCl3(THF)3 with PhP(CH2CH2CH2PPh2)2 in THF/CH2Cl2 gave MoCl3(PhP(CH2CH2CH2PPh2)2) ·CH2CI2 (1). Sodium amalgam reduction of I in the presence of the monotertiary phosphines PMe3-nPhn (n = 0, 1, 2), in THF under nitrogen atmosphere, yielded the bis(dinitrogen) complexesMo(N2)2[PhP(CH2CH2CH2PPh2)2](PMe3) (2),Mo(N2)2[PhP(CH2CH2CH2PPh2)2](PMe2Ph) (3), andMo(N2)2[PhP(CH2CH2CH2PPh2)2I(PMePh2) (4).The homologous PPh3 and i-Pr3P derivatives as well as the attempted tris(dinitrogen) species Mo(N2)2[PhP(CH2CH2CH2PPh2)2] could not be isolated. Compounds 2-4 were assigned trans coordination of the N2 ligands on the basis of their IR, Raman, and 31P NMR spectra. The trans- octahedral geometry of these complexes was also confirmed by a single-crystal X-ray diffraction study performed on 3.

scholarly journals Preparation and Structure of Poly(gold)telluronium Salts

1996 ◽  
Vol 51 (6) ◽  
pp. 879-882 ◽  
Author(s):  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Lattice ◽  
Spectroscopic Data ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
Selenium Compounds ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Product Forms ◽  
Square Pyramidal Geometry ◽  
Oxonium Salt

Abstract Tris[(triphenylphosphine)gold(I)]telluronium tetrafluoroborate (1) was prepared from the corresponding oxonium salt and bis(t-butyldimethylsilyl)tellurium in dichloromethane at -78°C. The product forms yellow crystals, thermally stable to 125°C. It was identified by standard analytical and spectroscopic techniques, including a single crystal X-ray diffraction study. In the crystal lattice, the cations form tellurium-capped triangles of gold, which are associated into dimers through short intermolecular Au -Au contacts, resembling those in the corresponding sulfur and selenium compounds. - The reaction of (t-BuMe2Si)2Te with four equivalents of [(Ph3P)Au]BF4 in tetrahydrofuran at -78°C gives a tetranuclear compound, {[(Ph3P)Au]4Te}2+ 2 BF4- (2) which differs from 1 in its analytical and spectroscopic data. Its structure could not be determined, but it is assumed that the dications have a square pyramidal geometry

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.

scholarly journals Synthesis, Spectral Characterization, Crystal Structure, Thermal Studies and Hirshfeld Surface Analysis of Novel Dichlorodi-(E)-N′-(4-methoxybenzylidene)benzohydrazide Manganese(II) Complex

2020 ◽  
Vol 32 (9) ◽  
pp. 2213-2221
Author(s):  
G. KAVITHA ◽  
M. UTHAYAKUMAR ◽  
VANDANA SHINDE ◽  
T. CHANDRASEKARAN ◽  
M. SURESH
Keyword(s):  
Single Crystal ◽  
Surface Analysis ◽  
Thermal Studies ◽  
Hirshfeld Surface ◽  
Octahedral Geometry ◽  
Hirshfeld Surface Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Uv Visible ◽  
Complex Crystal

A novel dichlorodi(E)-N′-(4-methoxybenzylidene)benzohydrazide manganese(II) (ENMB-Mn) complex has been successfully synthesized using (E)-N′-(4-methoxybenzylidene)benzohydrazide (ENMB) as ligand. The structure of the ENMB-Mn complex was studied by single crystal X-ray diffraction, UV-Visible, FTIR, thermogravimetric analysis (TGA) and Hirshfeld surface analysis. Results of single crystal X-ray diffraction found that the structure of ENMB-Mn complex crystal is triclinic with space group P-1 and lattice parameters of unit cell a, b and c values were 7.1900 Å, 8.9094 Å and 11.8130 Å, respectively. The structure of ENMB-Mn complex clearly indicates complete octahedral geometry [Mn(ENMB)2Cl2] with manganese(II) ion, where the ENMB and chlorine atoms ratio is 1:2:2, respectively. Further, the molecular properties like Hirshfeld surface analysis mapping are reported.

An Asymmetric Salen-type Bisoxime Ligand and Its Supramolecular Copper(II) Complex: Synthesis, Crystal Structure and Spectral Properties

2012 ◽  
Vol 67 (3) ◽  
pp. 197-203 ◽  
Author(s):  
Wen-Kui Dong ◽  
Yin-Xia Sun ◽  
Si-Jia Xing ◽  
Yuan Wang ◽  
Xiong-Hou Gao
Keyword(s):  
Crystal Structure ◽  
Molar Conductance ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Vis Spectroscopy ◽  
Dta Analysis ◽  
Coordinated Water ◽  
Square Pyramidal Geometry

A supramolecular Cu(II) complex [CuL(H2O)] with an asymmetric salen-type bisoxime ligand (H2L = 4-nitro-6ʹ-methoxy-2,2ʹ-[ethylenediyldioxybis(nitrilomethylidyne)]diphenol) has been synthesized and characterized by elemental analysis, IR and UV/Vis spectroscopy, TG-DTA analysis, and molar conductance measurements. The crystal structure of the Cu(II) complex has been determined by single-crystal X-ray diffraction. The Cu(II) atom is penta-coodinated by N2O2 donor atoms from the asymmetic salen-type bisoxime L2− unit and one oxygen atom from the coordinated water molecule, resulting in an almost regular square-pyramidal geometry. With the help of intermolecular O-H· · ·O, C-H· · ·O hydrogen bonding and π · · ·π stacking interactions, a self-assembled 3D supramolecular structure is formed.

Crystal structures of two (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) complexes

2019 ◽  
Vol 75 (11) ◽  
pp. 1509-1516
Author(s):  
Reese A. Clendening ◽  
Matthias Zeller ◽  
Tong Ren
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Octahedral Geometry ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Angles ◽  
Chloride Ligands ◽  
Planar Geometries

Reported in this contribution are the synthesis and crystal structures of two new FeIII complexes of 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (HMC), namely, dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) chloride, [FeCl2(C16H36N4)]Cl or cis-[FeCl2(rac-HMC)]Cl (1), and dichlorido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)iron(III) tetrachloridoferrate, [FeCl2(C16H36N4)][FeCl4] or trans-[FeCl2(meso-HMC)][FeCl4] (2). Single-crystal X-ray diffraction studies revealed that both 1 and 2 adopt a pseudo-octahedral geometry, where the macrocycles adopt folded and planar geometries, respectively. The chloride ligands in 1 are cis to each other, while those in 2 have a trans configuration. The relevant bond angles in 1 deviate substantially from an ideal octahedral coordination geometry, with the angles between the cis substituents varying from 81.55 (5) to 107.56 (4)°, and those between the trans-ligating atoms varying from 157.76 (8) to 170.88 (3)°. In contrast, 2 adopts a less strained configuration, in which the N—Fe—N angles vary from 84.61 (8) to 95.39 (8)° and the N—Fe—Cl angles vary from 86.02 (5) to 93.98 (5)°.

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