A novel coordination mode for dithiatetrazocines: preparation, x-ray structure, and fluxional behavior of [Pt(PPh3)(1,5-Ph4P2N4S2)]2

1990 ◽  
Vol 29 (17) ◽  
pp. 3068-3069 ◽  
Author(s):  
Tristram Chivers ◽  
Mark Edwards ◽  
Pramesh N. Kapoor ◽  
Auke Meetsma ◽  
Johan C. Van de Grampel ◽  
...  
Keyword(s):  
Coordination Mode ◽  
X Ray

[Zn(phen)2(CX3COO)]+, X = H orCl; Influence of X on the Coordination Mode of the Carboxylate Group (phen = 1,10-Phenanthroline)

2005 ◽  
Vol 60 (10) ◽  
pp. 1049-1053 ◽  
Author(s):  
Zeanab Talaei ◽  
Ali Morsali ◽  
Ali R. Mahjoub
Keyword(s):  
Nmr Spectroscopy ◽  
Elemental Analysis ◽  
Coordination Mode ◽  
Bidentate Ligand ◽  
Carboxylate Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr ◽  
Coordinate Geometry ◽  
C Nmr

Two new ZnII(phen)2 complexes with trichloroacetate and acetate anions, [Zn(phen)2(CCl3COO)- (H2O)](ClO4) and [Zn(phen)2(CH3COO)](ClO4), have been synthesized and characterized by elemental analysis, IR, 1H NMR, 13C NMR spectroscopy. The single crystal X-ray data of these compounds show the Zn atoms to have six-coordinate geometry. From IR spectra and X-ray crystallography it is established that the coordination of the COO− group is different for trichloroacetate and acetate. The former acts as a monodentate whereas the latter acts as a bidentate ligand.

Synthesis, X-ray characterization and DFT study of a novel Fe(III)–pyridine-2,6-dicarboxylic acid N-oxide complex with unusual coordination mode

2016 ◽  
Vol 449 ◽  
pp. 44-51 ◽  
Author(s):  
Maryam Bazargan ◽  
Masoud Mirzaei ◽  
Hossein Eshtiagh-Hosseini ◽  
Joel T. Mague ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Dicarboxylic Acid ◽  
Coordination Mode ◽  
Dft Study ◽  
X Ray

scholarly journals Steric and Electronic Effect of Cp-Substituents on the Structure of the Ruthenocene Based Pincer Palladium Borohydrides

Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2236
Author(s):  
Sergey V. Safronov ◽  
Elena S. Osipova ◽  
Yulia V. Nelyubina ◽  
Oleg A. Filippov ◽  
Irina G. Barakovskaya ◽  
...  
Keyword(s):  
Coordination Compounds ◽  
Coordination Mode ◽  
Electronic Effect ◽  
Palladium Chloride ◽  
Pincer Ligands ◽  
Palladium Atom ◽  
Volume Increase ◽  
X Ray ◽  
Ruthenium Atom ◽  
Direction Opposite

Ruthenocene-based PCPtBu pincer ligands were used to synthesize novel pincer palladium chloride RcF[PCPtBu]PdCl (2a) and two novel palladium tetrahydroborates RcF[PCPtBu]Pd(BH4) (3a) and Rc*[PCPtBu]Pd(BH4) (3b), where RcF[PCPtBu] = κ3-{2,5-(tBu2PCH2)2-C5H2}Ru(CpF) (CpF = C5Me4CF3), and Rc*[PCPtBu] = κ3-{2,5-(tBu2PCH2)2C5H2}Ru(Cp*) (Cp* = C5Me5). These coordination compounds were characterized by X-ray, NMR and FTIR techniques. Analysis of the X-ray data shows that an increase of the steric bulk of non-metalated cyclopentadienyl ring in 3a and 3b relative to non-substituted Rc[PCPtBu]Pd(BH4) analogue (3c; where Rc[PCPtBu] = κ3-{2,5-(tBu2PCH2)2C5H2}Ru(Cp), Cp = C5H5) pushes palladium atom from the middle plane of the metalated Cp ring in the direction opposite to the ruthenium atom. This displacement increases in the order 3c < 3b < 3a following the order of the Cp-ring steric volume increase. The analysis of both X-ray and IR data suggests that BH4 ligand in both palladium tetrahydroborates 3a and 3b has the mixed coordination mode η1,2. The strength of the BH4 bond with palladium atom increases in the order Rc[PCPtBu]Pd(BH4) < Rc*[PCPtBu]Pd(BH4) < RcF[PCPtBu]Pd(BH4) that appears to be affected by both steric and electronic properties of the ruthenocene moiety.

scholarly journals Synthesis and Characterization of New Diiron and Diruthenium μ-Aminocarbyne Complexes Containing Terminal S-, P- and C-Ligands

2007 ◽  
Vol 62 (3) ◽  
pp. 427-438 ◽  
Author(s):  
Vincenzo G. Albano ◽  
Luigi Busetto ◽  
Fabio Marchetti ◽  
Magda Monari ◽  
Stefano Zacchini ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
Coordination Mode ◽  
Bond Cleavage ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dithiocarbamate Ligand ◽  
High Yields

The diiron aminocarbyne complexes [Fe2{μ-CN(Me)(R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (R = Xy1, 1a; R = Me, 1b; R = CH2Ph, 1c; Xy1 = 2,6-Me2C6H3) undergo replacement of the coordinated nitrile by halides, diethyldithiocarbamate, and dicyanomethanide to give [Fe2{μ-CN(Me) (R)}(μ-CO)(CO)(X)(Cp)2] complexes (R = Me, X = Br, 4a; R = Me, X = I, 4b; R = CH2Ph, X = Cl, 4c; R = CH2Ph, X = Br, 4d; R = CH2Ph, X = I, 4e; R = Xy1, X = SC(S)NEt2, 5a; R = Me, X = SC(S)NEt2, 5b; R = Xy1, X = CH(CN)2, 7), in good yields. The molecular structure of 5a shows an unusual η1 coordination mode of the dithiocarbamate ligand. Similarly, treatment of [M2{μ-CN(Me) (R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (M = Fe, R = Xy1, 1a; M = Fe, R = Me, 1b; M = Ru, R = Xy1, 2a; M = Ru, R = Me, 2b) with a series of phosphanes generates the cationic complexes [M2{μ- CN(Me)(R)}(μ-CO)(CO)(P)(Cp)2][SO3CF3] (M = Fe, R = Xy1, P = PPh2H, 6a; M = Fe, R = Xy1, P = PPh3, 6b; M = Fe, R = Xy1, P = PMe3, 6c; M = Fe, R = Me, P = PMe2Ph, 6d; M = Fe, R = Me, P = PPh3, 6e; M = Fe, R = Me, P = PMePh2, 6f; M = Ru, R = Xy1, P = PPh2H, 6g; M = Ru, R = Me, P = PPh2H, 6h), in high yields. The molecular structure of 6a has been elucidated by an X-ray diffraction study. The reactions of [Fe2{μ-CN(Me)(Xyl)}(μ-CO)(CO)(NCR′)(Cp)2][SO3CF3] [R′ = Me, 1a; R′ = tBu, 3] with PhLi and PPh2Li yield [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(Ph)(Cp)2] (8) and [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(PPh2)(Cp)2] (9), respectively. The molecular structure of 8 has been ascertained by X-ray diffraction. Conversely, the reaction of 1a with MeLi generates the aminoalkylidene compound [Fe2{C(Me)N(Me)(Xy1)}(μ-CO)2(CO)(Cp)2] (10).Finally, the acetone complex [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(OCMe2)(Cp)2][SO3CF3] (12) reacts with lithium acetylides to give complexes [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(C≡CR)(Cp)2] (R = p-C6H4Me, 11a; R = Ph, 11b; R = SiMe3, 11c), in high yields. Filtration through alumina of a solution of 11a in CH2Cl2 results in hydration of the acetylide group and C-Si bond cleavage, affording [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO){C(O)Me}(Cp)2] (12).

ChemInform Abstract: Preparation and X-Ray Structure of the Bis(pentacarbonyltungsten) Complex of 1,3-Diphosphaallene With η1-Coordination Mode.

ChemInform ◽  
1990 ◽  
Vol 21 (35) ◽  
Author(s):  
M. YOSHIFUJI ◽  
K. TOYOTA ◽  
T. NIITSU ◽  
N. INAMOTO ◽  
K. HIROTSU
Keyword(s):  
Coordination Mode ◽  
X Ray

scholarly journals Synthesis and Crystal Structure Differences between Fully and Partially Fluorinated β-Diketonate Metal (Co2+, Ni2+, and Cu2+) Complexes

2011 ◽  
Vol 2011 ◽  
pp. 1-8 ◽  
Author(s):  
Akiko Hori ◽  
Masaya Mizutani
Keyword(s):  
Crystal Structure ◽  
Coordination Mode ◽  
Coordination Complexes ◽  
Protonated Form ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Π Interactions

Coordination complexes, [Co2(1)4(H2O)2] (2), [Ni2(1)4(H2O)2] (3), and [Cu(1)2] (4), by using an asymmetric and partially fluorinated 3-hydroxy-3-pentafluorophenyl-1-phenyl-2-propen-1-one (H1) have been prepared, and the structures were investigated to compare with the corresponding fully fluorinated complexes of [Co2(5)4(H2O)2] (6), [Ni2(5)4(H2O)2] (7), and [Cu(5)2] (8) with bis(pentafluorobenzoyl)methane (H5) and to understand the fluorine-substituted effects. While the coordination mode of the partially fluorinated complexes was quite similar to the fully fluorinated complexes, the intra- and intermolecular π-interactions of the ligand moieties were highly influenced by the fluorination effects; the arene-perfluoroarene interactions were observed in complexes 2 and 3 as a reason of the dinucleation. In this paper, we describe detail structures of the protonated form of the ligand, H1, and complexes 2–4 by X-ray crystallographic studies.

Influence of steric factors on the coordination mode (.eta.1 or .eta.2) of phosphaalkenes to zerovalent Pt0L2 centers. X-ray structure of bis(triphenylphosphine)[(2,6-dimethylphenyl)-9-fluorenylidenephosphine]platinum(0)-toluene

1986 ◽  
Vol 5 (10) ◽  
pp. 2014-2020 ◽  
Author(s):  
Johanna G. Kraaijkamp ◽  
Gerard. Van Koten ◽  
Theo A. Van der Knaap ◽  
Friedrich. Bickelhaupt ◽  
Casper H. Stam
Keyword(s):  
Coordination Mode ◽  
X Ray ◽  
Steric Factors

scholarly journals Synthesis, Crystal Structures, Electronic Spectra, and Magnetic Properties of Thiolato-Bridged Trinuclear Cobalt(II) Complexes with N, N, S-Tridentate Thiolate Ligands

2021 ◽  
Vol 3 (1) ◽  
pp. 0210102
Author(s):  
Masahiro Mikuriya ◽  
Atsushi Fujita ◽  
Takanori Kotera ◽  
Daisuke Yoshioka ◽  
Hiroshi Sakiyama ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Single Crystal ◽  
Electronic Spectra ◽  
Coordination Mode ◽  
Linear Arrangement ◽  
X Ray ◽  
X Ray Crystallography ◽  
Thiolate Ligands ◽  
Trinuclear Complexes ◽  
I 11

New trinuclear CoII complexes, [{Co(apaet)2}2Co]X2 (apaet– = 2-[(3-aminopropyl)amino]ethanethiolato; X = SCN (1), ClO4 (2), NO3 (3), Cl (4), Br (5), I (6)) and [{Co(apampt)2}2Co]X2 (apampt– = 1-[(3-aminopropyl)amino]-2-methylpropane-2-thiolato; X = NO3(7), ClO4 (8), Cl (9), Br (10), I (11)), and mononuclear CoIII complexes, [Co(apaet)2]X (X = ClO4 (12), NO3 (13)), were synthesized. Single-crystal X-ray crystallography of 1 and 7 confirmed that the trinuclear complexes have a linear arrangement of octahedral CoIIS2N4-tetrahedral CoIIS4-octahedral CoIIS2N4 chromophores where two thiolate ligands are coordinated to each terminal Co atom in a mer coordination mode and the two thiolato S atoms are further bound to the central Co atom, which is consistent with the electronic spectra and antiferromagnetic properties

scholarly journals Structural and Computational Studies of 1-Methyl-2-thiocytosine and its Coordination Mode in a Dinuclear Platinum(IV) Complex [(PtMe3)2(μ-1-MeSCy-1κN3,1:2κ2S)2][BF4]2

2010 ◽  
Vol 65 (5) ◽  
pp. 578-s590
Author(s):  
Cornelia Vetter ◽  
Christoph Wagner ◽  
Ralph Kluge ◽  
Dirk Steinborn
Keyword(s):  
Hydrogen Bonds ◽  
Diffraction Analysis ◽  
Coordination Mode ◽  
Complex Cation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Face To Face ◽  
Dinuclear Platinum ◽  
Network Of Hydrogen Bonds ◽  
Equilibrium Structures

X-Ray diffraction analysis of 1-methyl-2-thiocytosine (1-MeSCy, 1) revealed that its crystals contain two structurally very similar independent molecules (A, B). These molecules are connected through a complex network of hydrogen bonds. Centrosymmetric di- and tetrameric units AAʹ and BAAʹBʹ, respectively, are formed through N-H...N hydrogen bonds (N4a...N3aʹ 3.019(4) Å , AAʹ; N4a...N3b 2.988(4) Å, BAAʹBʹ), and the tetrameric units are connected through N-H...S hydrogen bonds. The arrangement of A and B molecules found in crystals of 1 was confirmed by DFT calculations up to tetrameric BAAʹBʹ units, yielding similar equilibrium structures, and the energies of the N-H...N hydrogen bonds between A and Aʹ and A and B were calculated to be about 10 kcal mol−1. Reaction of 1-MeSCy (1) with [PtMe3(Me2CO)3][BF4] (2) led to the formation of the ionic dinuclear complex [(PtMe3)2(μ-1-MeSCy-1κN3,1:2κ2S)2][BF4]2 (3) which was fully characterized by NMR (1H, 13C, 195Pt) and IR spectroscopy, ESI mass spectrometry and microanalysis. A singlecrystal X-ray diffraction analysis of 3 confirmed the dinuclear structure of the complex. The complex cation consists of a central [Pt2(μ-S)2] core having bound the 1-methyl-2-thiocytosine ligands in a 1κN3,1:2κ2S coordination mode in a face-to-face arrangement, the thionucleobase ligands being present as the amino-thione tautomer.

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