Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-?2N,N')gold(III) hexa-fluorido-phosphate.

ABSTRACT: A gold(III) salt of composition [AuCl2(C12H8N2)]PF6 was prepared and characterized by elemental and mass spectrometric analysis (ESI(+)-QTOF-MS), 1H nuclear magnetic resonance measurements and by single-crystal X-ray diffraction. The square-planar coordination sphere of AuIII comprises the bidentate 1,10-phenanthroline ligand and two chloride ions, with the AuIII ion only slightly shifted from the least-squares plane of the ligating atoms (r.m.s. = 0.018?Å). In contrast to two other previously reported AuIII-phenantroline structures that are stabilized by inter-actions involving the chlorido ligands, the packing of the title compound does not present these features. Instead, the hexa-fluorido-phosphate counter-ion gives rise to anion?? inter-actions that are a crucial factor for the crystal packing.

SUBMITTER: Ferraz de Paiva RE

PROVIDER: S-EPMC5499288 | biostudies-other | 2017 Jul

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Synthesis and crystal structure of di-chlorido-(1,10-phenanthroline-κ2N,N')gold(III) hexa-fluorido-phosphate.

Ferraz de Paiva Raphael Enoque RE Nakahata Douglas Hideki DH Corbi Pedro Paulo PP

Acta crystallographica. Section E, Crystallographic communications 20170616 Pt 7

A gold(III) salt of composition [AuCl2(C12H8N2)]PF6 was prepared and characterized by elemental and mass spectrometric analysis (ESI(+)-QTOF-MS), 1H nuclear magnetic resonance measurements and by single-crystal X-ray diffraction. The square-planar coordination sphere of AuIII comprises the bidentate 1,10-phenanthroline ligand and two chloride ions, with the AuIII ion only slightly shifted from the least-squar ...[more]

PMID: 28775880

Similar Datasets

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

Project description:The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

| S-EPMC4555389 | biostudies-literature

Di-μ-chlorido-bis-[chlorido(1,10-phenanthroline-κN,N')zinc(II)].

Project description:In the crystal structure of the title complex, [Zn(2)Cl(4)(C(12)H(8)N(2))(2)], each of the two five-coordinated Zn(II) atoms displays a strongly distorted trigonal-bipyramidal geometry defined by two N atoms from the chelate ligand and by one terminal and two bridging chloride anions. The crystal structure is stabilized by C-H⋯Cl inter-actions. There is inter-molecular π-π stacking between adjacent phenanthroline ligands, with a centroid-centroid distance of 3.151 (3) Å.

| S-EPMC2977612 | biostudies-literature

Tetra(chlorido/iodido)(1,10-phenanthroline)platinum(IV) hemi[di(chlorine/iodine)].

Project description:The asymmetric unit of the title compound, [PtCl(3.66)I(0.34)(C(12)H(8)N(2))]·0.5(Cl(0.13)I(1.87)), contains a neutral Pt(IV) complex and one half of a halogen molecule. The Pt(IV) ion is six-coordinated in a distorted octa-hedral environment by two N atoms of the 1,10-phenanthroline ligand and Cl or I atoms. The refinement of the structure and the EDX analysis indicate that the compound is a solid solution in which there is some substitution of Cl for I and vice versa. The chemical formula of the pure state of the compound would have been [PtCl(4)(C(12)H(8)N(2))]·0.5I(2). In the analysed crystal, two Cl atoms are partially (ca 25% and 9%) replaced by I atoms, and the I(2) mol-ecule has a minor component modelled as ICl. As a result of the disorder, the different trans effects of the N and Cl/I atoms are not distinct. The complex displays inter-molecular π-π inter-actions between the six-membered rings, with a centroid-centroid distance of 3.771 (4) Å. There are also weak intra-molecular C-H⋯Cl hydrogen bonds.

| S-EPMC2969087 | biostudies-literature

Chloridobis(1,10-phenanthroline)zinc(II) tetra-chlorido(1,10-phenan-throline)bis-muthate(III) monohydrate.

Project description:In the crystal structure of the title monohydrate salt, [ZnCl(C(12)H(8)N(2))(2)][BiCl(4)(C(12)H(8)N(2))]·H(2)O, the ionic components are linked into three-dimensional supra-molecular channels by five pairs of C-H?Cl hydrogen bonds and ?-? stacking inter-actions with an inter-planar distance of 3.643?(2)?Å. The solvent water mol-ecules are lodged in the channels.

| S-EPMC3050139 | biostudies-literature

catena-Poly[[(1,10-phenanthroline-?² N,N')lanthanum(III)]-?-(5-bromo-2-hy-droxy-benzoato)-?² O¹:O¹'-di-?-chlorido].

Project description:In the title complex, [La(C?H?BrO?)Cl?(C??H?N?)](n), the La(III) ion is eight-coordinated by two carboxyl-ate O atoms from two 5-bromo-salicylate ligands, two N atoms from a chelating 1,10-phenanthroline ligand and four bridging Cl atoms in a distorted square-anti-prismatic geometry. The La(III) ions are linked by bridging carboxyl-ate groups and chloride anions into a chain along [100]. An intra-molecular O-H?O hydrogen bond is formed in the 5-bromo-salicylate ligand. ?-? inter-actions between the pyridine and benzene rings and between the benzene rings are observed [centroid-centroid distances = 3.794?(5) and 3.804?(4)?Å].

| S-EPMC3393170 | biostudies-literature

Di-?-chlorido-bis-[(1,10-phenanthroline-?N,N')(trichloro-acetato-?O)copper(II)].

Project description:The title compound, [Cu(2)(C(2)Cl(3)O(2))(2)Cl(2)(C(12)H(8)N(2))(2)], features a centrosymmetric binuclear complex. The coordination geometry around the Cu(II) atom is square-pyramidal, comprising two N atoms from a symmetrically chelating 1,10-phenanthroline ligand, one O atom from a trichloro-acetate ligand and two Cl(-) anions. In addition, there is a weak intra-molecular Cu?O inter-action of 2.9403?(14)?Å involving the carbonyl O atom of the trichloro-acetate ligand. The central Cu(2)Cl(2) core takes the form of a rhombus, owing to the disparate Cu-Cl bond lengths. Mol-ecules are connected in the crystal structure by C-H?Cl and C-H?O inter-actions.

| S-EPMC3297214 | biostudies-literature

An acetonitrile solvatomorph of di-chlorido-(1,10-phenanthroline-5,6-dione)platinum(II).

Project description:In the title complex, [PtCl2(C12H6N2O2)]·CH3CN, the Pt(II) atom lies in a slightly distorted square-planar arrangement defined by an N2Cl2 donor set. In the packed structure, columns of complex moieties are stacked such that the neighboring units are oriented at 180° and laterally displaced with respect to each other. This prevents any overlap of the phenanthroline rings and thus there is no possibility of any π-π inter-actions between aromatic rings.

| S-EPMC4029211 | biostudies-literature

Crystal structure of cis-aqua-chlorido-bis-(1,10-phenanthroline-κ(2) N,N')chromium(III) tetra-chlorido-zincate monohydrate from synchrotron data.

Project description:The structure of the title compound, [CrCl(C12H8N2)2(H2O)][ZnCl4]·H2O, has been determined from synchrotron data. The Cr(III) ion is bonded to four N atoms from two 1,10-phenanthroline (phen) ligands, one water mol-ecule and a Cl atom in a cis arrangement, displaying an overall distorted octa-hedral coordination environment. The Cr-N(phen) bond lengths are in the range of 2.0495 (18) to 2.0831 (18) Å, while the Cr-Cl and Cr-(OH2) bond lengths are 2.2734 (7) and 1.9986 (17) Å, respectively. The tetra-hedral [ZnCl4](2-) anion is slightly distorted owing to its involvement in O-H⋯Cl hydrogen bonding with coordinating and non-coordinating water mol-ecules. The two types of water mol-ecules also inter-act through O-H⋯O hydrogen bonds. The observed hydrogen-bonding pattern leads to the formation of a three-dimensional network structure.

| S-EPMC4350701 | biostudies-literature

Tris(5,6-dimethyl-1,10-phenanthroline-?(2)N,N')copper(II) bis-(hexa-fluorido-phosphate) acetonitrile monosolvate.

Project description:In the title compound, [Cu(C(14)H(12)N(2))(3)](PF(6))(2)·CH(3)CN, the [Cu(5,6-dmp)(3)](2+) cationic complex (5,6-dmp is 5,6-dimethyl-1,10-phenanthroline) is stabilized by two hexa-fluorido-phosphate anions and one acetonitrile solvent mol-ecule. The coordination geometry around the Cu(II) atom can be described as distorted elongated octa-hedral with R(out) = 2.277?(2)?Å, R(in) = 2.052?(2)?Å and a tetra-gonality of 0.9011, acquiring a 'static' stereochemistry. In the supra-molecular network, there are inter-molecular C-H?F and C-H?N inter-actions with R(3) (3)(16), R(2) (2)(7), R(1) (2)(4), R(3) (3)(16) and C(3) (2)(7) motifs that lead to an infinite three-dimensional network.

| S-EPMC3393235 | biostudies-literature

Dichlorido(4,7-diphenyl-1,10-phenanthroline-κN,N')gold(III) tetra-chloridoaurate(III).

Project description:In the cation of the title compound, [AuCl(2)(C(24)H(16)N(2))][AuCl(4)], the Au(III) atom is four-coordinated in a distorted square-planar configuration by two N atoms from a 4,7-diphenyl-1,10-phenanthroline ligand and two terminal Cl atoms. In the anion, the Au(III) atom has a square-planar coordination. In the crystal structure, intra- and inter-molecular C-H⋯Cl hydrogen bonds are found.

| S-EPMC2960497 | biostudies-literature