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Crystal structure of a Pd4 carbonyl tri-phenyl-phosphane cluster [Pd4(CO)5(PPh3)4]·2C4H8O, comparing solvates.

ABSTRACT: Attempts to synthesize Au-Pd heterometallic compounds from homonuclear palladium or gold complexes, [Pd(PtBu2)2] and [Au(PPh3)Cl] in a tetra-hydro-furan (THF) solution under a CO atmosphere resulted in a homonuclear Pd cluster, namely penta-kis-(μ-carbonyl-κ(2) C:C)tetra-kis-(tri-phenyl-phosphane-κP)tetrapalladium(5 Pd-Pd) tetra-hydro-furan disolvate, [Pd4(CO)5(C18H15P)4]·2C4H8O. The complex mol-ecule lies on a twofold rotation axis. The crystal structure is described in relation to the CH2Cl2 solvate previously determined by our group [Willocq et al. (2011 ▸). Inorg. Chim. Acta, 373, 233-242], and in particular to the desolvated structure [Feltham et al. (1985 ▸). Inorg. Chem. 24, 1503-1510]. It is assumed that the title compound transforms into the latter structure, upon gradual loss of solvent mol-ecules. In the title compound, the symmetry-unique THF solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond. Contributions of disordered solvent molecules to the diffraction intensities, most likely associated with methanol, were removed with the SQUEEZE [Spek (2015). Acta Cryst. C71, 9-18] algorithm.

SUBMITTER: Robeyns K

PROVIDER: S-EPMC4770947 | biostudies-literature |

REPOSITORIES: biostudies-literature

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trans-Tetra-carbonyl-bis-(tri-phenyl-phosphane-κP)molybdenum(0).

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Project description:The asymmetric unit of the title co-crystal, 2,2'-thiodi-benzoic acid-tri-phenyl-phosphane oxide (1/2), C14H10O4S·2C18H15OP, comprises two mol-ecules of 2,2'-thiodi-benzoic acid [TDBA; systematic name: 2-[(2-carb-oxy-phen-yl)sulfan-yl]benzoic acid] and four mol-ecules of tri-phenyl-phosphane oxide [TPPO; systematic name: (di-phenyl-phosphor-yl)benzene]. The two TDBA mol-ecules are twisted about their di-sulfide bonds and exhibit dihedral angles of 74.40?(5) and 72.58?(5)° between the planes through the two SC6H4 residues. The carb-oxy-lic acid groups are tilted out of the planes of the rings to which they are attached forming a range of CO2/C6 dihedral angles of 19.87?(6)-60.43?(8)°. Minor conformational changes are exhibited in the TPPO mol-ecules with the range of dihedral angles between phenyl rings being -2.1?(1) to -62.8?(1)°. In the mol-ecular packing, each TDBA acid mol-ecule bridges two TPPO mol-ecules via hy-droxy-O-H?O(oxide) hydrogen bonds to form two three-mol-ecule aggregates. These are connected into a three-dimensional architecture by TPPO-C-H?O(oxide, carbon-yl) and TDBA-C-H?(oxide, carbon-yl) inter-actions. The importance of H?H, O?H/H?O and C?H/H?C contacts to the calculated Hirshfeld surfaces has been demonstrated. In terms of individual mol-ecules, O?H/H?O contacts are more important for the TDBA (ca 28%) than for the TPPO mol-ecules (ca 13%), as expected from the chemical composition of these species. Computational chemistry indicates the four independent hy-droxy-O-H?O(oxide) hydrogen bonds in the crystal impart about the same energy (ca 52?kJ?mol-1), with DTBA-phenyl-C-H?O(oxide) inter-actions being next most stabilizing (ca 40?kJ?mol-1).

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Crystal structure of di-?-iodido-bis-[(dimethyl sulfoxide-?O)(tri-phenyl-phosphane-?P)copper(I)].

Project description: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 Cu(I) atoms are bridged by two ?2-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 inter-action in the actual dimer. C-H?O and C-H?I hydrogen bonding interactions as well as C-H??(aryl) interactions stabilize the three-dimensional supramolecular network.

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Crystal structure of (benzene-carbo-thio-amide-κS)chloridobis-(tri-phenyl-phosphane-κP)silver(I).

Project description:In the mononuclear mixed-ligand title complex, [AgCl(C7H7NS)(C18H15P)2], the Ag(I) ion is four coordinated by one S atom of a benzene-carbo-thio-amide ligand, two P atoms of two tri-phenyl-phosphane ligands and one chloride ion, displaying a distorted tetra-hedral coordination geometry. In the crystal, pairs of N-H⋯Cl hydrogen bonds form inversion dimers. An intra-molecular N-H⋯Cl hydrogen bond is also observed.

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trans-Carbonyl-chloridobis(tri-o-tolyl-phosphane-?P)rhodium(I).

Project description:In the title compound, [RhCl(C(21)H(21)P)(2)(CO)], the coordination geometry around the Rh(I) atom is slightly distorted square-planar with the phosphane ligands in trans positions with respect to each other. The chloride and carbonyl ligands show positional disorder, and the Rh(I) atom lies on a center of inversion. The effective cone angle ?(E) for the title compound is 169.0?(3)°. There are no significant inter-molecular inter-actions.

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Crystal structure of bis-[tetra-kis-(tri-phenyl-phosphane-κP)silver(I)] (nitrilo-tri-acetato-κ(4) N,O,O',O'')(tri-phenyl-phosphane-κP)argentate(I) with an unknown amount of methanol as solvate.

Project description:The structure of the title compound, [Ag(C18H15P)4]2[Ag(C6H6NO6)(C18H15P)], exhibits trigonal (P-3) symmetry, with a C 3 axis through all three complex ions, resulting in an asymmetric unit that contains one third of the atoms present in the formula unit. The formula unit thus contains two of the cations, one anion and disordered mol-ecules of methanol as the packing solvent. Attempts to refine the solvent model were unsuccessful, indicating uninter-pretable disorder. Thus, the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18] was applied, accounting for 670 electrons per unit cell, representing approximately 18 mol-ecules of methanol in the formula unit. The stated crystal data for M r, μ etc do not take these into account.

| S-EPMC4778820 | biostudies-literature

Crystal structure of dicarbon-yl[?2-methyl-enebis(di-phenyl-phosphane)-?2 P:P'][?2-2-(2,4,5-tri-methyl-phen-yl)-3-oxoprop-1-ene-1,3-di-yl](tri-phenyl-phosphane-?P)ironplatinum(Fe-Pt)-di-chloro-methane-toluene (1/1/2), [(OC)2Fe(?-dppm)(?-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)].

Project description:The title compound, [FePt(C12H12O)(C18H15P)(C25H22P2)(CO)2]·2C7H8·CH2Cl2 or [(OC)2Fe(?-dppm)(?-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)], represents an example of a diphosphane-bridged heterobimetallic dimetalla-cyclo-pentenone complex resulting from a bimetallic activation of 1-ethynyl-2,4,5-tri-methyl-benzene and a metal-coordinated carbonyl ligand. The bridging ?2-C(=O)C(2,4,5-C6H2Me3)=CH unit (stemming from a carbon-carbon coupling reaction between CO and the terminal alkyne) forms a five-membered dimetalla-cyclo-pentenone ring, in which the C=C bond is ?-coordinated to the Fe centre. The latter is connected to the Pt centre through a short metal-metal bond of 2.5770?(5)?Å. In the crystal, the complex is solvated by one di-chloro-methane and two toluene mol-ecules.

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Crystal structure of (1,3-di-methyl-thio-urea-κS)tris-(tri-phenyl-phosphane-κP)silver(I) acetate.

Project description:In the mononuclear title salt, [Ag(C3H8N2S)(C18H15P)3](CH3COO), the Ag(I) ion exhibits a distorted tetra-hedral coordination sphere defined by three P atoms from three tri-phenyl-phosphane ligands and one S atom from a 1,3-di--methyl-thio-urea ligand. In the crystal, the acetate anion is linked with the complex cation via duplex N-H⋯O hydrogen bonds [graph-set motif R (2) 2(8)].

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