(2,2′-Bipyridine-κ2 N,N′)chlorido[4′-(2,5-dimethoxy­phen­yl)-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′]ruthenium(II) hexa­fluorido­phosphate acetonitrile monosolvate

In the title compound, [RuCl(C10H8N2)(C23H19N3O2)]PF6·CH3CN, the ligand environment about the RuII atom is distorted octa­hedral, with the substituted terpyridyl ligand coordinated in a meridional fashion, the bipyridyl ligand coordinated in a cis fashion and the Cl atom trans to one of the bipyridyl N atoms. The Ru—N distances are in the range 2.036 (2)–2.084 (2) Å with the exception of the central Ru—N bond from the terpyridyl ligand, which is shorter [1.9503 (19) Å], as expected. The pendant dimethoxy­phenyl substituent is not coplanar with the terpyridyl unit; the dihedral angle between the central pyridyl ring and the benzene ring is 46.72 (11)°. The anion is disordered equally over two positions around an F—P—F bond axis

Aqua­[2-(2-pyrid­yl)-1,8-naphthyridine-κ2 N 1,N 2](2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)ruthenium(II) bis­(hexa­fluorido­phosphate) acetone sesquisolvate

The asymmetric unit of the title compound, [Ru(C13H9N3)(C15H11N3)(H2O)](PF6)2·1.5C3H6O, consists of two crystallographically independent RuII complexes. Each complex is approximately octa­hedral with the RuII atom bound by an N,N′-coordinated 2-(2-pyrid­yl)-1,8-naphthyridine (pynp) ligand, a meridional 2,2′:6′,2′′-terpyridine (tpy) ligand and one aqua ligand. The tpy ligand is coordinated in a planar tridentate fashion with the central N atom closest to the RuII atom. The aqua ligand is trans to the pyridine N atom of pynp. The long Ru—O distances [2.150 (5) and 2.138 (5) Å] are typical for aqua ligands in polypyridyl ruthenium complexes. In the crystal, both intra­molecular O—H⋯N and inter­molecular O—H⋯O hydrogen bonds are observed

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

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

2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate

Although in the title salt, C10H9N2+·CF3SO3−, the C—C and C—N bond lengths within the aromatic rings are normal, there is a considerable difference in the C—N—C angles at the protonated and unprotonated N atoms, viz. 123.42 (10) and 117.10 (11)°, respectively. Bifurcated N—H...X (X = N or O) hydrogen bonds form within the cation and between cation and anion. As a result, the cation exists in a cis conformation in the solid state. An obvious π–π contact is also present between the non-protonated pyridyl rings of neighbouring cations

(OC-6-35-A)-Aquadicarbonylchlorido[2-(2-pyridyl)-1,8-naphthyridine-κ;2N1,N2]ruthenium(II) hexafluoridophosphate 2,2′-Bipyridine

A dicarbonylruthenium(II) complex containing bidentate 2-(2-pyridyl)-1,8-naphthyridine, as well as monodentate aqua and chlorido ligands, were isolated and characterized using spectroscopic techniques and single crystal X-ray diffraction. These data indicate that geometrical isomerization occurs during the substitution reaction involving a superacid. Density functional theory (DFT) calculations were performed on the plausible geometrical isomers. The DFT-optimized structures and calculated infrared spectra suggest that the experimentally obtained structure is stable

fac-Bromido/chlorido(0.50/0.50)[3-carbamoyl-1-(1,10-phenanthrolin-2-ylmethyl)pyridinium-κ2N,N′]tricarbonylmanganese(I) 0.49-bromide 0.51-chloride methanol monosolvate

The title complex, [MnBr0.50Cl0.50(C19H15N4O)(CO)3]Br0.49Cl0.51·CH3OH, exhibits substitutional disorder of the halogen ligand in the asymmetric unit, with almost the same occupancies for Br and Cl. The MnI atom is coordinated in a distorted octahedral environment by three carbonyl C atoms, the disordered X− ligand (X = Br or Cl) and two N atoms from the 1,10-phenanthroline ligand bearing a nicotinamide pendant moiety. The cation displays a fac configuration of the carbonyl ligands. There is another disorder between the chloride ligand and its trans-situated carbonyl ligand, and between Cl− and Br− at the position of the counter-anion. In the crystal, intermolecular C—H...X, N—H...X, O—H...X (X = Br or Cl) and C—H...O hydrogen bonds lead to the formation of a three-dimensional network

Bis[1,2-bis(methoxycarbonyl)ethene-1,2-dithiolato-κ2S,S′]bis(η5-pentamethylcyclopentadienyl)tetra-μ3-sulfido-tetrairon(4 Fe–Fe) hexafluoridophosphate

The asymmetric unit of the title compound, [Fe4(C6H6O4S2)2(C10H15)2S4]PF6, contains two different complex cations and two PF6− anions. The two complex cations have similar conformations with the butterfly-like Fe4S4 core surrounded by two pentamethylcyclopentadienyl ligands and the S atoms of two dithiolate ligands. In each Fe4S4 core, there are four short Fe—Fe and two long Fe...Fe contacts, suggesting bonding and non-bonding interactions, respectively. The Fe—S distances range from 2.1287 (13) to 2.2706 (16) Å for one and from 2.1233 (13) to 2.2650 (16) Å for the other Fe4S4 core. The Fe—S distances involving the dithiolate ligands are in a more narrow range [2.1764 (16)–2.1874 (13) Å for one and 2.1743 (14)–2.1779 (16) Å for the other cation]. There are no significant interactions between cations and anions

cis,trans-Dicarbonyldichlorido(1,10-phenanthroline-5,6-dione-κ2N,N′)ruthenium(II)

In the title compound, [RuCl2(C12H6N2O2)(CO)2], the RuII atom (site symmetry ..2) adopts a distorted octahedral coordination sphere defined by two carbonyl C atoms, two Cl− anions and two N atoms from the chelating 1,10-phenanthroline-5,6-dione (phendione) ligand. The carbonyl ligands are cis to each other, while the Cl atoms are trans. In the phendione ligand, the C=O [1.239 (5) Å] and the C—C [1.537 (5) Å] bond lengths in the diketone moiety have typical values. In the crystal, C—H...Cl and C—H...O hydrogen bonds lead to the formation of a three-dimensional supramolecular network