scholarly journals [(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Jeffrey A. Rood ◽  
Chhatra B. Subedi ◽  
John P. Risell ◽  
Andrei V. Astashkin ◽  
Edward Rajaseelan
Keyword(s):  
Carbon Atom ◽  
Phosphorus Atom ◽  
Counter Anion ◽  
Cationic Complex ◽  
Coordination Sites ◽  
Square Planar ◽  
Planar Environment

A new N-heterocyclic cationic rhodium(I) complex with a tetrafluoridoborate counter-anion, [Rh(C8H14N2)(C8H12)(C18H15P)]BF4, has been prepared and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the rhodium(I) ion. Two connections are made from rhodium(I) to the carbon atom of an N-heterocylic carbene ligand and to the phosphorus atom of a triphenylphosphane ligand. The remaining two coordination sites are made via a bidentate interaction from the two olefinic bonds of cyclooctadiene to the rhodium(I) ion. The compound includes an out-sphere tetrafluoridoborate counter-anion. Within the crystal of the compound exist several weak intermolecular C—H...F interactions.

scholarly journals (4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κP)iridium(I) tetrafluoridoborate

IUCrData ◽  
2021 ◽  
Vol 6 (8) ◽  
Author(s):  
Elliott B. Newman ◽  
Andrei V. Astashkin ◽  
Daniel R. Albert ◽  
Edward Rajaseelan
Keyword(s):  
Hydrogen Bonding ◽  
Fluorine Atom ◽  
Triazole Ring ◽  
Stacking Interactions ◽  
Hydrogen Bonding Interaction ◽  
Counter Anion ◽  
Cationic Complex ◽  
Square Planar ◽  
Bonding Interaction ◽  
Phenyl Rings

A new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetrafluoridoborate counter-anion, [Ir(C10H11N3)(C8H12)(C18H15P)]BF4, has been synthesized and structurally characterized. The cationic complex exhibits a distorted square-planar environment around the IrI ion. One significant non-standard hydrogen-bonding interaction exists between a hydrogen atom on the N-heterocyclic carbene ligand and a fluorine atom from the counter-ion, BF4 −. In the crystal, π–π stacking interactions are observed between one of the phenyl rings and the triazole ring. Both intermolecular and intramolecular C—H...π(ring) interactions are also observed.

scholarly journals Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)

2016 ◽  
Vol 72 (1) ◽  
pp. 96-101
Author(s):  
Zhe An ◽  
Jing Gao ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Metal Ion ◽  
Three Dimensional ◽  
Trigonal Prism ◽  
Planar Geometry ◽  
Cationic Complex ◽  
Counter Ion ◽  
Square Planar

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′)bis(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn2+ion in (I) is coordinated by twoO,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and anO,O′-bidentate bdc dianion to generate a distorted MnO6trigonal prism. A very long bond [2.580 (12) Å] from the Mn2+ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu2+ion lies on a crystallographic inversion centre and a CuO4square-planar geometry arises from its coordination by twoO,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H...O hydrogen bonds, which closeS(6) rings. In the crystals of both (I) and (II), the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

Synthesis, Characterization and Biological Activity Evaluation of Novel Pd(II) and Pt(II) Complexes with Heterocyclic Hydrazone Ligands

2007 ◽  
Vol 555 ◽  
pp. 423-427 ◽  
Author(s):  
Nenad R. Filipović ◽  
Tamara R. Todorović ◽  
D.M. Sladić ◽  
Irena T. Novaković ◽  
D.A. Jeremić ◽  
...  
Keyword(s):  
Biological Activity ◽  
13C Nmr Spectroscopy ◽  
Chloride Ions ◽  
Planar Geometry ◽  
Moderate Activity ◽  
Coordination Sites ◽  
Ligand Type ◽  
Square Planar ◽  
Derivatives Of ◽  
Hydrazone Ligands

New complexes of Pt(II) with condensation derivatives of ethyl hydrazinoacetate and either 2-acetylpyridine or 2-quinolinecarboxaldehyde, and of Pd(II) with the condensation derivative of ethyl hydrazinoacetate and 2-quinolinecarboxaldehyde were synthesized and characterized by elemental analysis, IR, 1H- and 13C-NMR spectroscopy, and molar conductivity measurements. The complexes have a square planar geometry, ligands binding as bidentates in the neutral form, and the remaining two coordination sites being occupied by chloride ions. Biological activity of new complexes, and of previously synthesized Pd(II), Cd(II), Co(III) and Zn(II) complexes with this ligand type was evaluated by the brine shrimp test. All the complexes showed a moderate activity.

scholarly journals Crystal structure of a nickel compound comprising two nickel(II) complexes with different ligand environments: [Ni(tren)(H2O)2][Ni(H2O)6](SO4)2

2020 ◽  
Vol 76 (3) ◽  
pp. 314-317
Author(s):  
Karilys González Nieves ◽  
Dalice M. Piñero Cruz
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Molar Ratio ◽  
Water Molecules ◽  
Nickel Compound ◽  
Counter Anion ◽  
Cationic Complex ◽  
Coordinated Water ◽  
Co Precipitation ◽  
Metal Ligand

The title compound, diaqua[tris(2-aminoethyl)amine]nickel(II) hexaaquanickel(II) bis(sulfate), [Ni(C6H18N4)(H2O)2][Ni(H2O)6](SO4)2 or [Ni(tren)(H2O)2][Ni(H2O)6](SO4)2, consists of two octahedral nickel complexes within the same unit cell. These metal complexes are formed from the reaction of [Ni(H2O)6](SO4) and the ligand tris(2-aminoethyl)amine (tren). The crystals of the title compound are purple, different from those of the starting complex [Ni(H2O)6](SO4), which are turquoise. The reaction was performed both in a 1:1 and 1:2 metal–ligand molar ratio, always yielding the co-precipitation of the two types of crystals. The asymmetric unit of the title compound, which crystallizes in the space group Pnma, consists of two half NiII complexes and a sulfate counter-anion. The mononuclear cationic complex [Ni(tren)(H2O)2]2+ comprises an Ni ion, the tren ligand and two water molecules, while the mononuclear complex [Ni(H2O)6]2+ consists of another Ni ion surrounded by six coordinated water molecules. The [Ni(tren)(H2O)2] and [Ni(H2O)6] subunits are connected to the SO4 2− counter-anions through hydrogen bonding, thus consolidating the crystal structure.

scholarly journals Di-μ-chlorido-bis{[2-(di-tert-butylphosphanyl)biphenyl-3-yl-κ2C3,P]palladium(II)} dichloromethane disolvate

2013 ◽  
Vol 69 (2) ◽  
pp. m86-m86 ◽  
Author(s):  
Cedric W. Holzapfel ◽  
Bernard Omondi
Keyword(s):  
Palladium Complex ◽  
Solvent Molecule ◽  
Membered Ring ◽  
The Other ◽  
Coordination Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Coordination Sites ◽  
Square Planar ◽  
Cl Atoms

The asymmetric unit of the title compound, [Pd2Cl2(C20H26P)2]·2CH2Cl2, contains one half-molecule of the palladium complex and a dichloromethane solvent molecule. In the complex, two PdIIatoms are bridged by two Cl atoms, with the other two coordination sites occupied by a C atom of the biphenyl system and a P atom, resulting in a distorted square-planar coordination geometry of the PdIIatom and a cyclometallated four-membered ring. The Pd2Cl2unit is located about an inversion center. The planes of the rings of the biphenyl system make a dihedral angle of 66.36 (11)°.

scholarly journals A soft phosphorus atom to “harden” an erbium(iii) single-ion magnet

2018 ◽  
Vol 9 (38) ◽  
pp. 7540-7545 ◽  
Author(s):  
Shi-Ming Chen ◽  
Jin Xiong ◽  
Yi-Quan Zhang ◽  
Qiong Yuan ◽  
Bing-Wu Wang ◽  
...  
Keyword(s):  
Carbon Atom ◽  
Phosphorus Atom ◽  
Blocking Temperature

A single-ion magnet (Dsp)Er(COT) was obtained by replacing a carbon atom of [Cp*]− in (Cp*)Er(COT) by a soft P atom. Both relaxation barrier and blocking temperature are improved.

scholarly journals Bis(N-nitroso-N-pentylhydroxylaminato-κ2O,O′)copper(II)

2014 ◽  
Vol 70 (4) ◽  
pp. m137-m138
Author(s):  
Ali Sheikh Bostanabad ◽  
Olga Kovalchukova ◽  
Svetlana Strashnova ◽  
Adam Stash ◽  
Igor Zyuzin
Keyword(s):  
Title Compound ◽  
Chelating Ligands ◽  
Wyckoff Position ◽  
Square Planar ◽  
Planar Environment

In the centrosymmetric title compound, [Cu(C5H11N2O2)2], the Cu2+ion, located on an inversion centre (Wyckoff position 2b), is in a square-planar environment, surounded by four O atoms of the N—O groups of twoN-nitroso-N-pentylhydroxylaminate ligands [Cu—O = 1.9042 (17) and 1.9095 (16) Å]. The hydroxylaminate monoanions are bidentate chelating ligands. The Cu2+cations form stacks along [010], with intermolecular Cu...N contacts of 3.146 (2) and 3.653 (2) Å.

Square planar or octahedral after all? The indistinct solvation of platinum(ii)

2018 ◽  
Vol 47 (37) ◽  
pp. 13032-13045 ◽  
Author(s):  
Muhammad Saleh ◽  
Thomas S. Hofer
Keyword(s):  
Structural Motif ◽  
Axial Coordination ◽  
Coordination Sites ◽  
Square Planar ◽  
Theoretical Investigations

The solvation structures of Pd(ii) and Pt(ii) are typically reduced to the well-known square-planar structural motif, although it has been shown, in both experimental and theoretical investigations, that these solutes demonstrate the affinity to bind ligand molecules at elongated distance in axial coordination sites.

A Xanes Study of Square Copper(II) Complexes

1991 ◽  
Vol 35 (B) ◽  
pp. 1115-1120
Author(s):  
Hisanobu Wakita ◽  
Toshio Yamaguchi ◽  
Hirohiko Adachi ◽  
Manabu Fujiwara ◽  
Seiichi Yamashita
Keyword(s):  
Aqueous Solution ◽  
Lower Energy ◽  
Molecular Orbital Calculations ◽  
Counter Anion ◽  
Edge Structure ◽  
X Ray ◽  
Square Planar ◽  
Tetraaza Macrocycles ◽  
X Ray Absorption ◽  
Back Donation

AbstractThe XANES (X-ray absorption near edge structure) spectra of copper(II) ions in solid state and in solution of the square-planar copper(II) complexes with tetraaza macrocycles were measured. The peaks in the measured XANES spectra shifted to lower energy side with increasing the electron density of central copper(II) ions. The molecular orbital calculations for the complexes were carried out by the DV-Xα method, and the theoretical XANES spectra were estimated. The clear chemical shift obtained by this XANES study is evaluated and leads to a new concept of π-back donation between the copper(II) complexes and counter anion in aqueous solution.

scholarly journals New Platinum(II) Complex Containing Asymmetric Tetra Dentate Schiff Base Ligand Synthesis, Characterization and DFT Calculation

2012 ◽  
Vol 9 (4) ◽  
pp. 2114-2118 ◽  
Author(s):  
Alireza Akbari ◽  
Iran Sheikhshoaie ◽  
Lotfali Saghatforoush ◽  
S. Yousof Ebrahimipour ◽  
Zohreh Amiri
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Dft Calculation ◽  
Structural Parameters ◽  
Platinum Complex ◽  
Molar Conductivity ◽  
Cationic Complex ◽  
Square Planar ◽  
Optimized Geometries ◽  
Good Agreement

The tetra dentate neutral (E)-4-nitro-2-((2-(2-(pyridin-2-yl) ethylthio) ethylimino) methyl) phenol, (pytaO2NSalH), Schiff-base ligand was synthesized using 1-(2-pyridyl)-3-thia-s-aminopentane (pyta) and 5-NO2salicylaldehyde. Then the related square planar Pt (II) cationic complex, [Pt (NSNO)] Cl, was synthesized using PtCl2(SMe2)2as precursor complex. The nature of the pytaO2NSalH and its platinum complex were determined by the elemental analysis, molar conductivity and spectrochemical (IR, UV–vis,1HNMR) techniques. In addition, the fully optimized geometries and vibration frequencies of them together were calculated using the ADF 2009.01 package. Structural parameters are in good agreement with the experimental data. The calculated and experimental results confirmed the suggested structures for the ligand and complex.

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