Poly[diaqua(μ\u3csub\u3e4\u3c/sub\u3e-3-fluorophthalato-κ\u3csup\u3e4\u3c/sup\u3eO:O:O\u27:O\u27\u27)cadmium(II)]

The crystal structure of the title compound, [Cd(C8H3FO4)(H2O)2]n, consists of polymeric sheets formed by the bridging of octahedrally coordinated CdII by carboxylate O atoms of the 3-fluorophthalate (3-fpt2-) ligand. The layers exhibit hydrogen bonding between each of two coordinated water molecules and two O atoms of the ligand. Adjacent sheets are connected through - interactions

Poly[[(μ-2,2\u27-bipyrimidine-κ\u3csup\u3e4\u3c/sup\u3eN\u3csup\u3e1\u3c/sup\u3e,N\u3csup\u3e1\u3c/sup\u3e\u27:N\u3csup\u3e3\u3c/sup\u3e,N\u3csup\u3e3\u3c/sup\u3e\u27)(μ-sulfato-κ\u3csup\u3e2\u3c/sup\u3eO:O\u27)zinc(II)] monohydrate]

In the title compound, {[Zn(SO4)(C8H6N4)]·H2O}n, the ZnII atom is in a distorted octahedral environment. The ZnII atoms are bridged by both 2,2\u27-bipyrimidine and sulfate ligands, thus forming a three-dimensional polymeric metal-organic solid that contains uncoordinated water molecules in the interstitial space. O-HO hydrogen bonding consolidates the crystal structure

Tetraaquabis(3-fluoropyridine-4-carboxylato-\u3cem\u3eκN\u3c/em\u3e)zinc(II) dihydrate

In the title compound, [Zn(C6H3FNO2)2(H2O)4]·2H2O, the ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules. The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O-HO and weak O-HF hydrogen bonds between 3-fpy4-cbx and water molecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180° rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1)

\u3cem\u3eCatena\u3c/em\u3e-Poly[[Bis(α-Thenoyltrifluoroacetonato)Copper(II)]-μ-1,4-Di-4-Pyridyl-2,3-Diazabuta-1,3-Diene]

In the one-dimensional title polymer, [Cu(C8H4F3O2S)2(C12H10N4)]n or [Cu(L)2(tta)2] [tta is -thenoyltrifluoroacetonato and L is 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene], Cu2+ lies on a center of inversion. It is axially coordinated by two pyridyl N atoms from two different L ligands and equatorially coordinated by four O atoms from two chelating tta ligands. The ligand L propagates the one-dimensional chain structure by serving as a bridging ligand between two Cu octahedra via Cu-N coordinate bonds

Tris(1,10-Phenanthroline)Cobalt(II) Triiodide

The asymmetric unit of the title compound, [Co(C12H8N2)3](I3)2, contains one [Co(1,10-phenanthroline)3]2+ cation, half each of two centrosymmetric triiodide anions, and one complete triiodide anion. The title compound was synthesized solvothermally from Co(NO3)2, 1,10-phenanthroline, and SnI2, where the SnI2 reagent serves only as a source of I atoms

Tris(Ethylenediamine)Cobalt(III) Nonaiododibismuthate

The asymmetric unit of the title compound, [Co(C2H8N2)3][Bi2I9], crystallizes in the orthorhombic space group Cmc21. The asymmetric unit contains half of a [Co(en)3]3+ cation (en is ethylenediamine) and half of a [Bi2I9]3- anion. Both species are located on mirror planes, requiring the [Co(en)3]3+ cation to be present as a statistically disordered mixture of both enantiomeric forms. Crystals were grown solvothermally from an ethanol-water solvent mixture using rac-[Co(en)3]I3 and bismuth triiodide as starting materials. The compound is a rare example of a mixed-metal halobismuthate material

Tetrakis[2-(2-Pyridyl)Pyridinium] Tetra-μ\u3csub\u3e3\u3c/sub\u3e-Iodo-Hexa-μ\u3csub\u3e2\u3c/sub\u3e-Iodo-Dodecaiodohexabismuthate and Bis[Tris(2,2\u27-Bipyridine)Ruthenium(II)] Di-μ\u3csub\u3e4\u3c/sub\u3e-Iodo-Octa-μ\u3csub\u3e2\u3c/sub\u3e-Iodo-Dodecaiodohexabismuthate

Crystals of the title compounds were grown solvothermally in an ethanol-water solvent mixture using ruthenium triiodide, 2,2\u27-bipyridine and bismuth triiodide as starting materials. Tetrakis[2-(2-pyridyl)pyridinium] tetra-3-iodo-hexa-2-iodo-dodecaiodohexabismuthate, (C10H9N2)4[Bi6I22], crystallizes in the triclinic space group P and is the major reaction product. The asymmetric unit of this compound consists of half a centrosymmetric [Bi6I22]4- anion and two independent 2,2\u27-bipyridinium cations. The minor product of the reaction is bis[tris(2,2\u27-bipyridine)ruthenium(II)] di-4-iodo-octa-2-iodo-dodecaiodohexabismuthate, [Ru(C10H8N2)3]2[Bi6I22], which also crystallizes in the triclinic space group P. For this compound, the asymmetric unit consists of one full [Ru(2,2\u27-bipyridine)3]2+ cation and half a centrosymmetric [Bi6I22]4- anion. Although both compounds contain a centrosymmetric [Bi6I22]4- anion, the polyhedral arrangement of the distorted BiI6 octahedra in the two compounds is quite different, and the anion of the latter compound has not previously been observed in iodobismuthate chemistry. Formula: (C10H9N2)4[Bi6I22] and [Ru(C10H8N2)3][Bi6I22

\u3cem\u3ecatena\u3c/em\u3e-Poly[[diaquadinitratozinc(II)]bis(μ-1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene)]

The polymeric title complex, [Zn(NO3)2(C24H20N8)(H2O)2]n, features distorted ZnN2O4 octahedra with each ZnII atom being located on an inversion center. Adjacent Zn ions are doubly bridged by two equivalent 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene ligands to form linear chains

\u3cem\u3ecatena\u3c/em\u3e-Poly[[bis(α-thenoyltrifluoroacetonato-κ\u3csup\u3e2\u3c/sup\u3eO,O\u27)copper(II)]-μ-1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene-κ\u3csup\u3e2\u3c/sup\u3eN:N\u27]

The title compound, [Cu(C8H4F3O2S)2(C12H10N4)]n or [Cu(tta)2(L2)2]n (L2 = 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene and tta = -thenoyltrifluoroacetonate), consists of undulating chains containing two crystallographically distinct CuII centers that are each located on inversion centers. Each CuII center exhibits distorted octahedral coordination provided by two pyridyl N atoms from two equivalent L2 ligands and four O atoms from two equivalent tta ligands. The chains interact through weak C-FH-C contacts

A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets

Rotationally resolved infrared spectra are reported for the X-HCN (X = Cl, Br, I) binary complexes solvated in helium nanodroplets. These results are directly compared with that obtained previously for the corresponding X-HF complexes [J. M. Merritt, J. K\"upper, and R. E. Miller, PCCP, 7, 67 (2005)]. For bromine and iodine atoms complexed with HCN, two linear structures are observed and assigned to the $^{2}\Sigma_{1/2}$ and $^{2}\Pi_{3/2}$ ground electronic states of the nitrogen and hydrogen bound geometries, respectively. Experiments for HCN + chlorine atoms give rise to only a single band which is attributed to the nitrogen bound isomer. That the hydrogen bound isomer is not stabilized is rationalized in terms of a lowering of the isomerization barrier by spin-orbit coupling. Theoretical calculations with and without spin-orbit coupling have also been performed and are compared with our experimental results. The possibility of stabilizing high-energy structures containing multiple radicals is discussed, motivated by preliminary spectroscopic evidence for the di-radical Br-HCCCN-Br complex. Spectra for the corresponding molecular halogen HCN-X$_{2}$ complexes are also presented.Comment: 20 pages, 15 figures, 6 tables, RevTe