scholarly journals Synthesis and structural analysis of cis-bis(1,10-phenanthroline)dicarbonyl ruthenium(II) 1.72-trifluoromethanesulfonate 0.28-hexafluoridophosphate

2021 ◽  
Vol 12 (4) ◽  
pp. 389-393
Author(s):  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Molecular Structure ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Carbonyl Carbon ◽  
X Ray ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Ruthenium Atom ◽  
Distorted Octahedral ◽  
First Time

Ruthenium(II) complexes containing both 1,10-phenanthroline (Phen) and carbonyl (CO) ligands are important molecules for various applications including catalysis. In this work, the molecular structure of [Ru(Phen)2(CO)2]2+ was determined via X-ray diffraction analysis for the first time. The complex exhibits substitutional disorder of one of counter-anions in the asymmetric unit, with different occupancies for CF3SO3- (0.72) and PF6- (0.28). The ruthenium atom is coordinated in a distorted octahedral environment by two carbonyl carbon atoms and four nitrogen atoms from bis-Phen ligands. The cation displays a cis configuration of the carbonyl ligands. Several hydrogen bonds and π-π interactions are present in the crystal. In addition to structural characterization, IR spectral data for the complex is compared with calculated values. These results provide fundamental data for understanding various properties of related ruthenium complexes.

Synthesis, IR and X-Ray Studies of Tetra(N,N′-tetraethyl-N″-benzoyl- phosphorictriamide)-tetra(μ-3-methoxo)-tetra(methanol)tetra-NickeI(II)

1998 ◽  
Vol 53 (8) ◽  
pp. 836-840 ◽  
Author(s):  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Anatoliy A. Kapshuk ◽  
Tatyana Yu. Sliva ◽  
Tadeusz Glowiak ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Metal Ion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Methoxy Groups ◽  
Oxygen Atoms

Abstract A new nickel(II) complex with N,N′-tetraethyl-N″-benzoylphosphortriamide (HL = C6H5C(O)N(H)P(O)(NEt2)2) of composition Ni4L4(OCH3)4·(HOCH3)4 (1) has been synthe­ sized. The crystal and molecular structure of 1 has been determined from the X-Ray diffraction data (tetragonal, space group P4̄21c with a = 17.000(2) Å, c = 15.338(3) Å, Z = 2; R = 0.0399 for 1412 unique reflections). The structure is made up of cubane-like tetramers. In the corners of a cube there are 4 atoms of nickel and 4 atoms of oxygen of methoxy groups. The nickel atoms are characterized by a slightly distorted octahedral environment, which consists of three oxygen atoms of methoxy groups, carbonylic and phosphorylic oxygen atoms of the ligand L-, and an oxygen atom of a methanol molecule. The ligands L- coordinate to the metal ion forming a chelate via the oxygen atoms of carbonylic and phosphorylic groups.

Darstellung und Struktur eines zweikernigen Vanadium(V)-Komplexes mit den terminal gebundenen Stickstoffliganden NtC4H9, NHtC4H9 und NH2tC4H9: [ VCl(μ-Cl)(NtC4H9)(NHtC4H9) (NH2tC4H9) ]2 / Synthesis and Molecular Structure of a Binuclear Vanadium(V) Complex Containing the Terminal Nitrogen Ligands NtC4H9, NHtC4H9, NH2tC4H9: [VCl(μ-Cl)(NtC4H9)(NHtC4H9)(NH2tC4H9)]2

1985 ◽  
Vol 40 (3) ◽  
pp. 363-367 ◽  
Author(s):  
Fritz Preuss ◽  
Edith Fuchslocher ◽  
William S. Sheldrick
Keyword(s):  
Molecular Structure ◽  
Diffraction Analysis ◽  
Vanadium Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nitrogen Ligands ◽  
Nmr Data ◽  
Distorted Octahedral ◽  
Tert Butylamine ◽  
Cl Atoms

tC4H9N = VCl2(NHtC4H9) and the tert-butylamine complex [tC4H9N=VCl2(NHtC4H9)(NH2tC4H9)] have been prepared by reaction of tC4H9N=VCl3 with NH2tC4H9. 1H and 51V NMR data of these compounds are reported. The complex was investigated by X-ray diffraction analysis; the structure has been found to be a binuclear vanadium complex bridged by two Cl-atoms with a distorted octahedral arrangement of the ligands.

scholarly journals [Bis(pyridin-2-ylmethyl)amine-κ3 N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m741-m742
Author(s):  
Marietjie Schutte ◽  
Theunis J. Muller ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion ◽  
Amine Ligand

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)amine ligand in a distorted octahedral environment. N—H...Br, O—H...Br, C—H...O and C—H...Br hydrogen bonds are present in the crystal structure and π–π stacking is also observed [centroid–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.

A mixed-ligand dihydrobis(2-mercapto-4-methylthiazolyl)borate) bismuth complex: [Bi(btMe)(phen)Cl2]

2015 ◽  
Vol 70 (3) ◽  
pp. 203-206 ◽  
Author(s):  
Muhammad Imran ◽  
Beate Neumann ◽  
Norbert W. Mitzel
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Mixed Ligand ◽  
Resonance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bismuth Complex ◽  
Phenanthroline Ligand

Abstract[Bi(btMe)(phen)Cl2] (btMe = dihydrobis(2-mercapto-4-methylthiazolyl)borate), a mixed-ligand bismuth complex, was prepared from BiCl3, phenanthroline and Na(btMe) and characterized by nuclear magnetic resonance spectroscopy as well as single-crystal X-ray diffraction. It possesses a BiS2N2Cl2 core with distorted octahedral environment constituted by two sulfur atoms of the dipodal boron-centered soft ligand (btMe)–, two nitrogen atoms of the phenanthroline ligand and two chloro ligands.

scholarly journals Crystal structure of cis-(1,4,8,11-tetraazacyclotetradecane-κ4 N)bis(thiocyanato-κN)chromium(III) bromide from synchrotron X-ray diffraction data

2021 ◽  
Vol 77 (3) ◽  
pp. 222-225
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Title Complex ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Bromide Anion ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The crystal structure of the title complex, cis-[Cr(NCS)2(cyclam)]Br (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron X-ray data. The asymmetric unit contains one [Cr(NCS)2(cyclam)]+ cation and one bromide anion. The CrIII ion of the complex cation is coordinated by the four N atoms of the cyclam ligand and by two N-coordinating NCS groups in a cis arrangement, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.075 (3) to 2.081 (3) Å while the average Cr—N(NCS) bond length is 1.996 (16) Å. The macrocyclic cyclam moiety adopts the most stable cis-V conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups as donor groups, and the bromide anion and the S atom of one of the NCS ligands as acceptor groups.

Synthesis and structural characterization of two copper(II) complexes with 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxyphenyl)-1-phenylprop- 2-en-1-one ligands

2015 ◽  
Vol 70 (3) ◽  
pp. 165-169 ◽  
Author(s):  
Gao-Feng Wang
Keyword(s):  
Infrared Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
Distorted Octahedral Environment ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractThe synthesis of two new copper(II) complexes with benzimidazole type ligands, Cu(tta)2(L1)2 (1) and Cu(tta)2(L1) (2) (where L1 is 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxy phenyl)-1-phenylprop-2-en-1-one; tta is 2-thenoyltrifluoroacetonate), are reported. Their structures have been characterized by infrared spectroscopy, elemental analyses and single-crystal X-ray diffraction. The copper(II) ion of 1 is in a distorted octahedral environment, while that of 2 is in a distorted square-pyramidal environment. In both cases, the donor atoms are provided by oxygen atoms of the tta ligands and nitrogen atoms of the L1 ligands.

scholarly journals Structural and Spectroscopic Properties of Two New Isostructural Complexes of Lapacholate with Cobalt and Copper

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
R. A. Farfán ◽  
J. A. Espíndola ◽  
M. I. Gomez ◽  
M. C. L. de Jiménez ◽  
M. A. Martínez ◽  
...  
Keyword(s):  
Electronic Absorption Spectra ◽  
Spectroscopic Properties ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Phenol Oxygen ◽  
Oxygen Atoms

The molecular structures of two isostructural complexes of lapacholate (Lap) anion and dimethylformamide (DMF), M(Lap)2(DMF)2 with M: Co Cu, were determined by X-ray diffraction methods. The substances crystallize in the triclinic space group P1¯ with one molecule per unit cell and cell constants a=7.7591(3), b=10.3560(3), c=11.2224(4) Å, α=95.110(2), β=94.310(2), and γ=107.704(2)° for the Co complex and a=7.9308(2), b=10.0033(4), c=10.7508(4), α=97.387(2), β=93.621(2), and γ=103.980(2)° for the Cu complex. The structures were solved from 2933 (Co) and 2888 (Cu) reflections with I>2σ (I) and refined by full matrix least squares to agreement R1-factors of 0.041 (Co) and 0.033 (Cu). The metal M(II) ion is sited on a crystallographic inversion center in a MO6 distorted octahedral environment. This ion is coordinated equatorially to two lapacholate anions through their adjacent carbonyl and phenol oxygen atoms [M–O bond distances of 2.134(1) and 2.008(1) Å (Co) and 2.301(1) and 1.914(1) Å (Cu)] and axially to two DMF molecules through oxygen atoms [M–O bond lengths of 2.143(1) Å (Co) and 2.069(1) Å (Cu)]. The solid state IR transmittance and solution electronic absorption spectra of both Co and Cu compounds are also reported and compared to each other and to the corresponding spectra of other members of the lapacholate metal family of complexes.

Structure and Stability of a Linear Trinuclear Cobalt(II) Complex: Co3(PhCH=CHCO2)6(bpy)2

2008 ◽  
Vol 63 (2) ◽  
pp. 129-133 ◽  
Author(s):  
Xian-Wen Wang ◽  
Ying Chen ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu ◽  
Lei Han
Keyword(s):  
X Ray Diffraction ◽  
Linear Arrangement ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

A trinuclear cobalt(II) complex, [Co3(PhCH=CHCO2)6(bpy)2] (1) (bpy = 2,2-bipyridine), was synthesized and structurally characterized by single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic space group P1 with cell parameters: a = 11.347(6), b = 11.471(6), c = 14.247(8) Å , α = 69.503(9), β = 74.211(9), γ = 76.812(11)°, V = 1653.2(15) Å3, Z = 1, and R1(F) = 0.026, wR2(F2) = 0.138. Complex 1 has a linear arrangement of three Co(II) centers bridged by six cinnamate carboxylate groups, four of which function in a bidentate syn-syn fashion linking the peripheral Co2 atoms, and two as both bidentate bridging and bidentate chelating units. The Co1 atom is located on a crystallographic inversion center and exhibits a slightly distorted octahedral coordination geometry, while the terminal Co atoms (Co2 and Co2#1) have a significantly distorted octahedral environment. Hydrogen bonding interactions and π-π stacking interactions stabilize the structure

Darstellung, Kristallstruktur und Infrarotspektrum von [MoNCl3 · POCl3]4/Preparation, Crystal Structure and Infrared Spectrum of [MoNCl3 · POCl3]4

1978 ◽  
Vol 33 (11) ◽  
pp. 1347-1351 ◽  
Author(s):  
Joachim Strähle ◽  
Ulrich Weiher ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Infrared Spectrum ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Abstract [MoNCl3 · POCl3]4 is prepared both by the reaction of MoNCl3 with POCl3 as well as by the reaction of MoCl5 with NCl3 in the presence of POCl3. [MoNCl3 · POCl3]4 crystallizes in the monoclinic space group P21/c with 2 tetrameric molecules in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0.033, 1821 observed reflections). The structure consists of planar and almost square Mo4N4-eight-membered rings with alternating Mo-N bond lengths. The distorted octahedral environment of the molybdenum atoms is completed by three terminal Cl-ligands and by the oxygen atom of a POCl3 molecule, which is coordinated trans to the Mo ≡ N triple bond. The IR spectrum is discussed with respect to the vibrational spectra of the isoelectronic niobium complex [NbOCl3 · POCl3]4.

Synthesis and Characterization of a Zinc(II) Complex of Bispicen

2013 ◽  
Vol 68 (12) ◽  
pp. 1327-1332 ◽  
Author(s):  
Beatriz S. Parajón-Costa ◽  
Gustavo A. Echeverría ◽  
Oscar E. Piro ◽  
Enrique J. Baran
Keyword(s):  
Crystal And Molecular Structure ◽  
Chloride Ion ◽  
Monoclinic Space Group ◽  
Tetradentate Ligand ◽  
X Ray Diffraction ◽  
Amine Nitrogen ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

The synthesis of a Zn(II) complex of bispicen, the tetradentate ligand N,N′-bis(2-pyridylmethyl)- ethylenediamine, of composition [Zn(bispicen)Cl(H2O)]2[ZnCl4] is reported. Its crystal and molecular structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the monoclinic space group C2=c with Z =4 molecules per unit cell. The Zn(II) cation in the [Zn(bispicen)Cl(H2O)]+ complex is in a distorted octahedral environment, coordinated to a neutral bispicen molecule acting as a tetradentate ligand through its two amine nitrogen atoms, at cis positions, and its two pyridyl N atoms, at trans positions. The six-fold coordination is completed by a chloride ion and a water molecule. The tetrahedral [ZnCl4]2- counter-ion lies on a crystallographic twofold axis. The complex was further characterized by FTIR spectroscopy, and its vibrational behavior compared with that of the dihydrated tetrahydrochloride of free bispicen

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