The crystal structure of monopyridinecopper(II) acetate

Hanic, F.; STEMPELOVá, D.; Hanicová, K.

doi:10.1107/s0365110x64001554

Cited by 81 publications

(24 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The ideal bond orders are set to fulfil the 8−N rule on O. The bond lengths [67] are converted to bond valences with eq. 1 using the appropriate bond-valence parameter from ref.…”

Section: Os From a Bond Graphmentioning

confidence: 99%

Toward a comprehensive definition of oxidation state (IUPAC Technical Report)

Karen

McArdle

Takats

2014

Pure and Applied Chemistry

111

View full text Add to dashboard Cite

A generic definition of oxidation state (OS) is formulated: "The OS of a bonded atom equals its charge after ionic approximation". In the ionic approximation, the atom that contributes more to the bonding molecular orbital (MO) becomes negative. This sign can also be estimated by comparing Allen electronegativities of the two bonded atoms, but this simplification carries an exception when the more electronegative atom is bonded as a Lewis acid. Two principal algorithms are outlined for OS determination of an atom in a compound; one based on composition, the other on topology. Both provide the same generic OS because both the ionic approximation and structural formula obey rules of stable electron configurations. A sufficiently simple empirical formula yields OS via the algorithm of direct ionic approximation (DIA) by these rules. The topological algorithm works on a Lewis formula (for a molecule) or a bond graph (for an extended solid) and has two variants. One assigns bonding electrons to more electronegative bond partners, the other sums an atom's formal charge with bond orders (or bond valences) of sign defined by the ionic approximation of each particular bond at the atom. A glossary of terms and auxiliary rules needed for determination of OS are provided, illustrated with examples, and the origins of ambiguous OS values are pointed out. An electrochemical OS is suggested with a nominal value equal to the average OS for atoms of the same element in a moiety that is charged or otherwise electrochemically relevant.

show abstract

“…The ideal bond orders are set to fulfil the 8−N rule on O. The bond lengths [67] are converted to bond valences with eq. 1 using the appropriate bond-valence parameter from ref.…”

Section: Os From a Bond Graphmentioning

confidence: 99%

Toward a comprehensive definition of oxidation state (IUPAC Technical Report)

Karen

McArdle

Takats

2014

Pure and Applied Chemistry

111

View full text Add to dashboard Cite

show abstract

“…1). The Cu´´´Cu distance of 2.905(1) A Ê is much larger than the distance observed in Cu II acetate monohydrate (2.64 A Ê ) [6]. The divalent dinuclear complex cations are orientated in that way that two adjacent sixmembered rings of each phen ligand are covered from above and below by phen fragments of neighboring complexes, leading to 1 D intermolecular p-p stacking interactions along [100].…”

mentioning

confidence: 99%

Synthesis and Crystal Structure of a Novel Dinuclear Copper(II) Complex, [Cu2(phen)2(H2O)2(OH)2](HCO3)2 · 6 H2O with phen = 1,10-phenanthroline

Zheng

Sun

Lin

2000

Z. anorg. allg. Chem.

View full text Add to dashboard Cite

Dark blue plate‐like crystals of [Cu2(phen)2 · (H2O)2(OH)2](HCO3)2 · 6 H2O were obtained from a CH3OH–H2O solution containing CuCl2, 1,10‐phenanthroline (phen), sebacic acid and Na2CO3. The crystal structure (triclinic, P 1 (no. 2), a = 8.118(1), b = 9.624(1), c = 10.536(1) Å, α = 81.35(1)°, β = 88.51(1)°, γ = 75.77(1)°, Z = 1, R = 0.0332, wR2 = 0.0981 for 4163 observed reflections (F $^2_o$ ≥ 2σ(F $^2_o$) out of 4595 unique reflections) consists of divalent [Cu2(phen)2(H2O)2(OH)2]2+ complex cations, anionic (HCO3)22– dimers and H2O molecules. The divalent complex cations (d(Cu…Cu) = 2.905(1) Å) are centered at inversion centers. The Cu atoms are fivefold square‐pyramidally coordinated by two nitrogen and three oxygen atoms from one bidentate chelating phen ligand, two bridging hydroxide groups and one axial water molecule (d(Cu–N)phen = 2.021(2), 2.024(2) Å; d(Cu–O)OH = 1.941(1), 1.949(1) Å; d(Cu–O)H2O = 2.254(2) Å). The divalent complex cations are stacked to form 2 D layers parallel (001) with 1 D π‐π stacking interactions along [100] via the terminal phen rings. The dimeric (HCO3)22– anions and the hydrogen bonded H2O molecules are sandwiched between the 2 D layers.

show abstract

“…These are much longer than that in paddle-wheel complexes [10][11][12][13][14]16] and even longer than in some binuclear complexes [5,23]. Each Cu(II) ion thus adopts a distorted square pyramidal geometry.…”

Section: Crystal Structurementioning

confidence: 90%

“…One important area of this research concerns binuclear complexes, especially the binuclear Cu(II) complexes [4,5], because of their use as molecular-based ferromagnets [6,7] and catalysts, and their particular molecular structure [8,9]. There are several types of binuclear Cu(II) complexes; one-, two-and four-carboxylate-bridged [10][11][12][13][14][15] and non-carboxylate-bridged examples [4] are well-known. In these complexes, Cu-Cu distances range from 2.435 Å [15] to 2.633 Å [12], depending on terminal ligands, and short distances result in magnetic interactions.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization and crystal structure of a novel binuclear copper(II) complex

Sao

Chen

Zhu

et al. 2006

Journal of Coordination Chemistry

View full text Add to dashboard Cite

The binuclear copper(II) complex [Cu 2 (dyma) 2 (phen) 2 ] Á 4H 2 O Á 2DMF (Na 2 dyma ¼ sodium 2-[1,3]-dithiolan-2-ylidene-malonate, phen ¼ 1,10-phenanthroline) has been synthesized and characterized by analysis, IR and electronic spectroscopy, and variable temperature magnetic susceptibility measurements. A single-crystal X-ray diffraction analysis shows that each copper atom exhibits distorted square-pyramidal coordination geometry, bonded to two oxygen atoms of dyma, two nitrogen atoms of phen and an oxygen atom from a neighbouring molecule, thus forming a binuclear complex. The binuclear units form columns along the b axis via -interactions between phen ligands. Hydrogen bonds between 1D columns lead to a 2D network. IR and electronic spectra are consistent with the structure. In the temperature range 230-290 K, the complex exhibits weak antiferromagnetic behaviour and, below 230 K, ferromagnetic behaviour.

show abstract

The crystal structure of monopyridinecopper(II) acetate

Cited by 81 publications

References 1 publication

Toward a comprehensive definition of oxidation state (IUPAC Technical Report)

Toward a comprehensive definition of oxidation state (IUPAC Technical Report)

Synthesis and Crystal Structure of a Novel Dinuclear Copper(II) Complex, [Cu2(phen)2(H2O)2(OH)2](HCO3)2 · 6 H2O with phen = 1,10-phenanthroline

Synthesis, characterization and crystal structure of a novel binuclear copper(II) complex

Contact Info

Product

Resources

About