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1.  catena-Poly[[[(triphenyl­phosphane)copper(I)]-di-μ-iodido-[(triphenyl­phosphane)copper(I)]-μ-[3,6-bis­(4-pyrid­yl)-1,2,4,5-tetra­zine]] acetonitrile disolvate] 
The title compound, {[Cu2I2(C12H8N6)(C18H15P)2]·2CH3CN}n, contains centrosymmetric dinuclear Cu2I2(PPh3)2 units bridged by 3,6-bis­(4-pyrid­yl)-1,2,4,5-tetra­zine ligands lying also across crystallographic inversion centers, giving a chain structure in the ab plane. The distorted tetra­hedral CuI atoms in the dinuclear unit are coordinated by two bridging iodide anions, one pyridine N atom from the substituted tetra­zine ligand and one terminal triphenyl­phosphine P-atom donor. The Cu⋯Cu distance is 2.8293 (12) Å, implying a weak Cu⋯Cu inter­action.
doi:10.1107/S1600536810042807
PMCID: PMC3008982  PMID: 21588895
2.  [4-Bromo-N-(pyridin-2-yl­methyl­idene)aniline-κ2 N,N′]iodido(triphenyl­phosphane-κP)copper(I) 
In the title compound, [CuI(C12H9BrN2)(C18H15P)], the CuI ion is bonded to one I atom, one triphenyl­phosphane P atom and two N atoms of the diimine ligand in a distorted tetra­hedral geometry. The Schiff base acts as a chelating ligand and coordinates to the CuI atom via two N atoms. In the diimine ligand, the dihedral angle between the pyridine and bromo­phenyl rings is 19.2 (2)°. In the crystal, mol­ecules are connected by π–π stacking inter­actions between inversion-related pyridine rings [centroid–centroid distance = 3.404 (3) Å].
doi:10.1107/S160053681202884X
PMCID: PMC3393242  PMID: 22807702
3.  Iodido[1-(propan-2-yl­idene)thio­semi­carbazide-κS]bis­(triphenyl­phosphane-κP)copper(I) 
In the mononuclear title complex, [CuI(C4H9N3S)(C18H15P)2], the CuI ion displays a distorted tetra­hedral coordination geometry involving two P atoms of two triphenyl­phosphane mol­ecules, one S atom of a 1-(propan-2-yl­idene)thio­semicarbazide mol­ecule and one iodide ion. In the crystal, C—H⋯π inter­actions [C—H⋯centroid distances = 3.443 (3) and 3.788 (3) Å] and N—H⋯S hydrogen bonds form layers parallel to (100). An intra­molecular N—H⋯I hydrogen bond is also observed.
doi:10.1107/S1600536812044066
PMCID: PMC3515154  PMID: 23284381
4.  catena-Poly[[(triphenyl­phosphane-κP)copper(I)]-di-μ-bromido-[(triphenyl­phos­phane-κP)copper(I)]-μ-1,3-bis(pyridin-4-yl)­propane-κ2 N:N′] 
Through a diffusion reaction, cuprous bromide, triphenyl­phosphane and 1,3-bis­(pyridin-4-yl)propane (bpp) were self-assembled to form the one-dimensional title compound, [Cu2Br2(C13H14N2)(C18H15P)2]n. Each CuI atom is coordinated by two Br atoms, one P atom from a triphenyl­phosphane ligand and one N atom from a bpp mol­ecule in a distorted tetra­hedral geometry. Two μ2-Br bridges connect two [Cu(PPh3)]+ units to form neutral [CuBr(PPh3)]2 dimers, which are linked by the flexible bridging bpp ligands to form a one-dimensional chain structure parallel to the c axis. The dihedral angle between the pyridine rings of the bpp ligand is 34.59 (14)°.
doi:10.1107/S1600536812004084
PMCID: PMC3297220  PMID: 22412410
5.  Bis{μ-(E)-methyl 4-[(2-carbamothio­ylhydrazinyl­idene)meth­yl]benzoate-κ2 S:S}bis­[iodido(triphenyl­phosphane-κP)copper(I)] 
The title complex, [Cu2I2(C10H11N3O2S)2(C18H15P)2], is a centrosymmetric sulfur-bridged dimer of CuI with PPh3 and iodine. The CuI atom shows a distorted tetra­hedral geometry, with bite angles ranging from 98.61 (2) to 120.16 (3)°. The intra­molecular Cu⋯Cu distance is 2.8228 (12) Å. The thio­semicarbazone ligand is coordinated only through the S atom. In the crystal, the complex mol­ecules are linked via inter­molecular N—H⋯O hydrogen bonds, resulting in a hydrogen-bonded chain along the b axis.
doi:10.1107/S1600536811041845
PMCID: PMC3246960  PMID: 22219780
6.  Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethyl­idene]thio­semicabazidato-κS}bis­(triphenyl­phosphane-κP)silver(I) 
The title compound, [Ag(C9H13N5S)Cl(C18H15P)2], crystallizes with four independent mol­ecules in the asymmetric unit, in each of which the Ag atom is in a distorted tetra­hedral coordination, defined by the chloride ligand, the S atom of the neutral ligand and two P atoms derived from the triphenyl phosphine ligands. The thio­semicarbazone acts as a monodentate ligand through its thione S atom. An intra­molecular N—H⋯Cl hydrogen bond occurs in two of the independent mol­ecules. In the crystal, the mol­ecules are assembled through N—H⋯Cl hydrogen bonds, forming chains along [101].
doi:10.1107/S1600536813003152
PMCID: PMC3588416  PMID: 23476487
7.  Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis­(triphenyl­phosphane-κP)copper(I) methanol monosolvate 
In the title compound, [CuI(C8H8N2S)(C18H15P)2]·CH3OH, the coordination environment around the CuI atom is distorted tetra­hedral, defined by two P atoms of two triphenyl­phosphane ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H)-thione ligand and one I atom. The complex mol­ecules and the methanol solvent mol­ecules are connected via N—H⋯O and O—H⋯I hydrogen bonds, forming a chain along [010]. An intra­molecular N—H⋯I hydrogen bond is also observed.
doi:10.1107/S1600536812039165
PMCID: PMC3470167  PMID: 23125611
8.  catena-Poly[[(tri­phenyl­phosphane-κP)silver(I)]-μ-4,4′-bi­pyridine-κ2 N:N′-[(tri­phenyl­phosphane-κP)silver(I)]-di-μ-chlorido] 
In the title coordination polymer, [Ag2Cl2(C10H8N2)(C18H15P)2]n, the AgI cation is coordinated by a 4,4′-bi­pyridine N atom, a tri­phenyl­phosphane P atom and two Cl− anions in a distorted tetra­hedral geometry. The 4,4-bi­pyridine and Cl− anions bridge the AgI cations, forming polymeric chains running along [21-1]. In the crystal, weak C—H⋯Cl inter­actions link the polymeric chains into a three-dimensiona supra­molecular architecture.
doi:10.1107/S160053681301413X
PMCID: PMC3684900  PMID: 23795002
9.  Crystal structure of di-μ-iodido-bis­[(dimethyl sulfoxide-κO)(tri­phenyl­phosphane-κP)copper(I)] 
The basic building unit of the title complex, CuI(DMSO)(PPh3), reproduced by a symmetry centre, leads to the rhomboid dimers in which the CuI atoms are in a tetra­hedral geometry. The dimers are discrete mol­ecules, but through weak inter­molecular C—H⋯O inter­actions involving two adjacent DMSO ligands, a one-dimensional chain assembly is formed.
The centrosymmetric dinuclear title compound, [Cu2I2(C2H6OS)2(C18H15P)2], represents the first example of a CuI complex ligated by an O-bound dimethyl sulfoxide ligand. In the crystal, the two tetrahedrally coordinated CuI atoms are bridged by two μ2-iodido ligands in an almost symmetrical rhomboid geometry. The loose Cu⋯Cu contact of 2.9874 (8) Å is longer than the sum of the van der Waals radii of two Cu atoms (2.8 Å), excluding a significant cupriophilic inter­action in the actual dimer. C—H⋯O and C—H⋯I hydrogen bonding interactions as well as C—H⋯π(aryl) interactions stabilize the three-dimensional supramolecular network.
doi:10.1107/S1600536814025203
PMCID: PMC4257398  PMID: 25552989
crystal structure; dinuclear CuI complexes; iodide bridges; tri­phenyl­phosphane; DMSO
10.  [6-(4-Bromo­phen­yl)-2,2′-bipyridine-κ2 N,N′]bis­(triphenyl­phosphane-κP)copper(I) tetra­fluoridoborate 
The title compound, [Cu(C16H11BrN2)(C18H15P)2]BF4, is composed of one CuI atom, one 6-(4-bromo­phen­yl)-2,2′-bipyridine (L) ligand, two triphenyl­phosphane mol­ecules and one tetra­fluoridoborate anion. The CuI ion is four-coordinated in a distorted tetra­hedral configuration by two N atoms from L and two P atoms from triphenyl­phosphane ligands. In the L ligand, the two pyridine rings are not coplanar; the mean planes making a dihedral angle of 15.3 (5)°. In the crystal, the ions are linked by weak C—H⋯F inter­actions.
doi:10.1107/S1600536811029515
PMCID: PMC3200642  PMID: 22058839
11.  Di­aqua­{μ2-N,N′-bis­[(cyclo­hexa­nyl­idene)amino]­oxamide}­bis­(tri­phenyl­phosphane)silver(I) dinitrate 
The dinuclear title compound, [Ag2(C14H22N4O2)(C18H15P)2(H2O)2](NO3)2, lies across an inversion center and consists of two [Ag(H2O)(PPh3)] units bridged by a bis­(cyclo­hexa­none)oxalydihydrazone ligand. The charge-balance is supplied by two nitrate anions. The symmetry-unique AgI ion is in a distorted tetra­hedral geometry coordinated by a P atom from a tri­phenyl­phosphane ligand, an O atom from a water mol­ecule and a bis­(cyclo­hexa­none)oxalydihydrazone ligand bidentate chelating through the O atom and one of N atoms. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the components, forming chains along the b-axis direction. These chains are connected through weak C—H⋯O hydrogen bonds, leading to the formation of a two-dimensional supra­molecular network parallel to (001).
doi:10.1107/S1600536813034454
PMCID: PMC3998245  PMID: 24764806
12.  Tetra­kis(triphenyl­phosphane-κP)silver(I) tetra­fluorido­borate 
The title complex, [Ag(C18H15P)4]BF4, was prepared by the reaction of silver(I) tetra­fluorido­borate and triphenyl­phosphane in the presence of 1,2-bis­(pyridin-2-yl)ethyl­ene. The AgI atom is tetra­hedrally coordinated by four P atoms from triphenyl­phosphane (PPh3) ligands. Due to symmetry, the tetra­fluorido­borate anion is disordered over three positions (each with one third occupancy). The tetra­fluorido­borate anion does not coordinate to the AgI atom.
doi:10.1107/S1600536812018247
PMCID: PMC3344421  PMID: 22590183
13.  (1-Ferrocenyl-4,4,4-trifluoro­butane-1,3-dionato-κ2 O,O)bis­(triphenyl­phosphane)copper(I) 
In the title mononuclear coordination complex, [CuFe(C5H5)(C9H5F3O2)(C18H15P)2], the CuI ion is coordinated by the chelating β-diketonate 1-ferrocenyl-4,4,4-trifluoro­butane-1,3-dione ligand through two O atoms and the two datively bonded triphenyl­phosphane ligands resulting in a distorted tetra­hedral coordination sphere. The CuI ion, together with its chelating butane-1,3-dione group, is mutually coplanar [greatest displacement of an atom from this plane = 0.037 (1) Å], and the CuI ion lies slightly above [0.013 (1) Å] the plane. The overall geometry, including the bond distances and angles within the complex, corresponds to those of other reported copper(I) β-diketon­ates featuring organic groups at the β-diketonate ligand.
doi:10.1107/S1600536811001796
PMCID: PMC3051674  PMID: 21522889
14.  (2-Methyl-4-oxo-4H-pyran-3-olato-κ2 O 3,O 4)bis­(triphenyl­phosphane-κP)copper(I)–triphenyl­phosphane–methanol (1/1/1) 
In the title compound, [Cu(C6H5O3)(C18H15P)2]·C18H15P·CH3OH, the pyran-4-one ring is appromimately planar (r.m.s deviation = 0.0138 Å), with the CuI atom 0.451 (5) Å out of the plane. The CuI atom has a distorted tetra­hedral coordination. The O—Cu—O angle is 80.07 (8)° and the P—Cu—P angle is 123.49 (3)°. The crystal packing is stablized by intra­molecular C—H⋯O inter­actions and inter­molecular C—H⋯O and O—H⋯O inter­actions.
doi:10.1107/S1600536811011470
PMCID: PMC3089247  PMID: 21754306
15.  Di-μ-thio­semicarbazide-κ4 S:S-bis­[chlori­dobis(triphenyl­phosphane-κP)silver(I)] 
The dinuclear title complex, [Ag2Cl2(CH5N3S)2(C18H15P)2], lies across an inversion center. The AgI ion exhibits a slightly distorted tetra­hedral coordination geometry formed by a P atom from a triphenyl­phosphane ligand, two metal-bridging S atoms from thio­semicabazide ligands and one chloride ion. The S atoms bridge two symmetry-related AgI ions, forming a strictly planar Ag2S2 core with an Ag⋯Ag separation of 2.7802 (7) Å. There is an intra­molecular N—H⋯Cl hydrogen bond. In the crystal, N—H⋯Cl and N—H⋯S hydrogen bonds link complex mol­ecules, forming layers parallel to (001). These layers are connected through π–π stacking inter­actions [centroid–centroid distance = 3.665 (2) Å], leading to the formation of a three-dimensional network.
doi:10.1107/S1600536812051562
PMCID: PMC3569183  PMID: 23424427
16.  [5-(Pyridin-2-yl)-1H-tetra­zole-κ2 N 4,N 5]bis(triphenyl­phosphane-κP)copper(I) tetra­fluoridoborate 
In the title CuI compound, [Cu(C6H5N5)(C18H15P)2]BF4, the CuI cation is N,N′-chelated by a 5-(pyridin-2-yl)-1H-tetra­zole ligand and coordinated by two triphenyl­phosphane ligands in a distorted tetra­hedral geometry. The tetra­zole and pyridine rings are essentially coplanar [dihedral angle = 4.1 (3)°]. The tetra­fluoridoborate anion links to the complex cation via an N—H⋯F hydrogen bond.
doi:10.1107/S1600536812047605
PMCID: PMC3588771  PMID: 23468736
17.  μ-2,2′-Bipyrimidine-κ4 N 1,N 1′:N 3,N 3′-bis­[iodido(triphenyl­phosphane-κP)copper(I)] dimethyl­formamide disolvate 
In the title binuclear centrosymmetric complex, [Cu2I2(C8H6N4)(C18H15P)2]·2C3H7NO, the bis-bidentate 2,2′-bipyrimidine ligand bridges two copper(I) ions, each additionally bound to an iodide anion and a triphenyl­phosphane ligand in a distorted tetra­hedral N2IP geometry. The complex mol­ecules pack in columns parallel to [100] generating cavities occupied by dimethyl­formamide solvent mol­ecules. Weak C—H⋯I hydrogen-bonding inter­actions help to stabilize the crystal packing.
doi:10.1107/S1600536812028139
PMCID: PMC3393243  PMID: 22807703
18.  [4,6-Dimethyl­pyrimidine-2(1H)-thione-κS]iodidobis(triphenyl­phosphane-κP)copper(I) 
In the mononuclear title complex, [CuI(C6H8N2S)(C18H15P)2], the CuI ion is in a slightly distorted tetra­hedral coordination geometry formed by two P atoms from two triphenyl­phosphane ligands, one S atom from a 4,6-dimethyl­pyrimidine-2(1H)-thione ligand and one iodide ion. There is an intra­molecular N—H⋯I hydrogen bond. In the crystal, π–π stacking inter­actions [centroid–centroid distance = 3.594 (1) Å] are observed.
doi:10.1107/S1600536812021010
PMCID: PMC3379106  PMID: 22719327
19.  (anti-Chlorido­thio­semicabazide-κS)bis­(tri­phenyl­phosphane-κP)copper(I) 0.48-hydrate 
In the mononuclear title complex, [CuCl(CH5N3S)(C18H15P)2]·0.48H2O, the CuI ion is in a slightly distorted tetra­hedral coordination geometry formed by two P atoms from two tri­phenyl­phosphane ligands, one S atom from a thio­semicarbazide ligand and one chloride anion. An intra­molecular N—H⋯N hydrogen bond [graph-set motif S(5)] stabilizes the thio­semicarbazide ligand in its anti conformation, and an intra­molecular N—H⋯Cl hydrogen bond between the hydrazine N—H group and the chloride anion influences the arrangement and orientation of the ligands around the metal center. A weak intra­molecular C—H⋯Cl hydrogen bond is also present. In the crystal, complex mol­ecules are connected through N—H⋯Cl hydrogen bonds originating from the amide –NH2 group, and through O—H⋯S and O—H⋯Cl hydrogen bonds involving the solvent water mol­ecule. Both the direct N—H⋯Cl hydrogen bonds as well as the bridging hydrogen bonds mediated by the water mol­ecule connect the complex mol­ecules into zigzag chains that propagate along [010]. The solvent water mol­ecule is partially occupied, with a refined occupancy of 0.479 (7).
doi:10.1107/S1600536813008556
PMCID: PMC3647795  PMID: 23723761
20.  Tricarbonylbis­(triphenyl­phosphane-κP)iridium(I) hexa­fluoridophosphate methanol monosolvate 
In the title compound, [Ir(C18H15P)2(CO)3]PF6·CH3OH, the IrI atom is coordinated by two triphenyl­phosphine ligands in axial sites and three carbonyl ligands in the equatorial plane of a fairly regular trigonal bipyramid: the equatorial C—Ir—C angles range from 115.45 (9) to 126.42 (10)°. The small deviations from the ideal tetra­hedral geometry around the P atoms are illustrated by C—P—C angles ranging from 104.08 (9) to 106.46 (9)°. In the crystal, the mol­ecules are linked by weak C—H⋯F, C—H⋯O and C—H⋯π inter­actions.
doi:10.1107/S1600536812035593
PMCID: PMC3435607  PMID: 22969480
21.  (1-Acetyl­thio­urea-κS)bromido­bis(triphenyl­phosphane-κP)silver(I) 
In the title complex, [AgBr(C3H6N2OS)(C18H15P)2], the AgI ion is in a distorted tetra­hedral geometry coordinated by two P atoms from two triphenyl­phosphane ligands, one S atom of an acetyl­thio­urea ligand and one bromide ligand. There are intra­molecular N—H⋯Br and N—H⋯O hydrogen bonds present. In the crystal, pairs of N—H⋯S hydrogen bonds involving thio­urea groups form inversion dimers. In addition, moleclues pack to give sixfold phenyl embraces with an inter­molecular P⋯P distance of 6.4586 (17) Å.
doi:10.1107/S1600536812045199
PMCID: PMC3588756  PMID: 23468721
22.  μ3-Bromido-oxidotri-μ3-sulfido-tris­(triphenyl­phosphane-κP)­tri­copper(I)­tungsten(VI) 
The title complex, [Cu3WBrOS3(C18H15P)3], a neutral heavily distorted cubane-like W/S/Cu cluster, was self-assembled from ammonium trithio­tungstate(VI), cuprous bromide and triphenyl­phosphane in N,N-dimethyl­formamide. The average Cu—Br, Cu—S and W—μ3-S bond lengths are 2.731 (2), 2.318 (2) and 2.256 (2) Å, respectively, in the distorted cubane-like skeleton. The W atom exhibits tetra­hedral geometry, formed by one terminal O atom and three μ3-S atoms; the W—O bond length is 1.728 (6) Å. Each Cu atom is coordinated by one P atom from a triphenyl­phosphane ligand, and two μ3-S and one μ3-Br atoms, forming a distorted tetra­hedral coordination geometry.
doi:10.1107/S1600536812004631
PMCID: PMC3297238  PMID: 22412428
23.  {2-[1-(2-Meth­oxy-6-oxidophenyl-κO 6)ethyl­idene]-N-methyl­hydrazinecarbo­thio­amidato-κ2 N 2,S}(tri­phenyl­phosphane-κP)palladium(II) ethanol monosolvate 
In the title compound, [Pd(C11H13N3O2S)(C18H15P)]·C2H5OH, the PdII atom is tetra­coordinated in a slightly distorted square-planar environment by three donor atoms (NOS) from a thio­semicarbazonate ligand, forming five- and six-membered chelate rings, and a P atom from a neutral tri­phenyl­phosphane group. The five-membered ring adopts a distorted envelope conformation with PdII as the flap atom, while the six-membered ring forms a slightly twisted screw-boat conformation. A slightly distorted screw-boat form of a meth­oxy­phenyl group is fused to the six-membered ring. Weak C—H⋯O inter­actions form dimers in the asymmetric unit and along [001] which help to stabilize the crystal packing.
doi:10.1107/S1600536813023040
PMCID: PMC3790343  PMID: 24098165
24.  Tetra­kis(triphenyl­phosphane-κP)silver(I) trifluoro­acetate ethanol monosolvate 
In the title solvated salt, [Ag(C18H15P)4](CF3CO2)·C2H5OH, the AgI atom is coordinated by four P atoms from triphenyl­phosphane ligands in a distorted tetra­hedral geometry. The anion and solvent are engaged in weak O—H⋯O hydrogen bonds. Of the four triphenyl­phosphane ligands, two each have an equally disordered phenyl ring while the AgI atom is disordered over two positions in a 0.9595 (15):0.0405 (15) ratio and the trifluoro­acetate anion is equally disordered over two positions with respect to the lattice ethanol mol­ecule.
doi:10.1107/S1600536812045060
PMCID: PMC3588779  PMID: 23468744
25.  Di-μ-iodido-bis­{[(R)-(+)-2,2′-bis­(di­phenyl­phosphan­yl)-1,1′-binaphthyl-κ2 P,P′]copper(I)} 0.67-hydrate 
The structure of the title compound, [Cu2I2(C44H32P2)2]·0.67H2O, has been determined because of its inter­esting catalytic and optical features. The mol­ecule, which has non-crystallographic C2-symmetry, consists of a core structure of two CuI ions, bridged by two iodide ions. Each CuI ion is also coordinated by one equivalent of the chiral bidentate (R)-BINAP ligand [BINAP = 2,2′-bis­(diphenyl­phosphan­yl)-1,1′-binaphth­yl]. Thus, both cations show a distorted tetra­hedral geometry being surrounded by two I atoms and two P atoms from the (R)-BINAP ligands. The complex consists of isolated butterfly-shaped mol­ecules featuring an angle of 146.11 (2)° between adjacent CuI2 planes. The structure displays intra­molecular C—H⋯I hydrogen bonding and contains disordered water. The absolute configuration of this chiral complex was determined by anomalous dispersion effects.
doi:10.1107/S1600536812011051
PMCID: PMC3343858  PMID: 22589832

Results 1-25 (89259)