Synthesis and Crystal Structure of Mixed-valence Hexanuclear Manganase Oxide Complex,Hexakis(μ<Subscript>2</Subscript>-pivalato)-tetrakis(μ<Subscript>3</Subscript>-pivalato)-mono(pyridine)-tris(pivalic acid)-bis(μ<Subscript>4</Subscript>-oxo)dimanganese(III) tetramanganase(II)

Abstract  The complex, [Mn₆O₂(OOCCMe₃)₁₀(HOOCCMe₃)₃(py)], has a hexanuclear structure with a Mn₆O₂ core. This complex crystallizes in the monoclinic space group P2₁/n with a = 17.757(5) ?, b = 27.413(5) ?, c = 22.348(5) ?, β = 90.233(5)°, V = 9,040(4) ?³ and Z = 4. It contains a [Mn₆O₂]¹⁰⁺ core that can be described as two edge-sharing Mn₄ tetrahedra at the centre of each of which tetrahedron lies a μ₄-O²⁻ ion. All Mn atoms are six-coordinate and possess distorted octahedral geometry. Mn₄ exhibits butterfly arrangement with both μ₄-O atoms on the same side of the molecule. The complex is mixed-valence , and the Mn^III centers are assigned as the two central metal ions bridged by two O²⁻ ions. Index abstract  The complex, [Mn₆O₂(OOCCMe₃)₁₀(HOOCCMe₃)₃(py)], has a hexanuclear structure with a Mn₆O₂ core. This complex crystallizes in the monoclinic space group P2₁/n with a = 17.757(5) ?, b = 27.413(5) ?, c = 22.348(5) ?, β = 90.233(5)°, V = 9040(4) ?³ and Z = 4. It contains a [Mn₆O₂]¹⁰⁺ core that can be described as two edge-sharing Mn₄ tetrahedra at the centre of each of which tetrahedron lies a μ₄-O²⁻ ion. All Mn atoms are six-coordinate and possess distorted octahedral geometry. Mn₄ exhibits butterfly arrangement with both μ₄-O atoms on the same side of the molecule. The complex is mixed-valence , and the Mn^III centers are assigned as the two central metal ions bridged by two O²⁻ ions.      

Synthesis and Crystal Structure of (PzCH<Subscript>2</Subscript>CHOHCH<Subscript>2</Subscript>PzH)·(Ph<Subscript>2</Subscript>SnCl<Subscript>3</Subscript>) (Pz = 3,5-dimethylpyrazol-1-yl)

Abstract  

Reaction of Ph₂SnCl₂ with 1,3-bis(3,5-dimethylpyrazol-1-yl)-2-propanol (L) in a 1:1 ratio yields L(SnPh₂Cl₂)₂ adduct, which partly hydrolyzes to the title complex (C₂₅H₃₁Cl₃N₄OSn, Mr = 628.58) during crystal growing in the air. The title complex is of monoclinic, space group P2₁/n with a = 9.0338(9), b = 17.890(1), c = 17.340(1) ?, β = 95.533(1)^o, V = 2798.9(5) ?³, Z = 4, Dc = 1.492 Mg/m³, λ(MoKα) = 0.71073 ?, μ = 1.224 mm⁻¹, F(000) = 1272, R = 0.023, wR = 0.054 for 4212 observed reflections with I ≥ 2σ(I). The crystal structure indicates that there is no direct interaction between the pyrazolyl ligand and the tin atom, but this complex forms a supramolecular structure through weak intermolecular C–H⋯Cl and O–H⋯Cl hydrogen bonds.     

Synthesis and Crystal Structures of the Coordination Polymers Pb(PYTAC)<Subscript>2</Subscript> and Pb<Subscript>2</Subscript>(PYTAC)<Subscript>3</Subscript>(NO<Subscript>3</Subscript>) (PYTAC = 2-(pyridin-4-yl)thiazole-5-carboxylate)

Abstract  

Two lead coordination compounds, Pb(PYTAC)₂ (1), and Pb(PYTAC)₂(NO₃) (2), were grown as single crystals via hydrothermal synthesis (PYTAC = 2-(4-pyridyl) thiazole-4-carboxylate). Both compounds have been identified via single crystal X-ray diffraction. Coordination polymer 1 crystallizes in a triclinic space group P-1 (a = 5.5097(4) ?, b = 7.2822(5) ?, c = 11.3134(8) ?, α = 103.5580(10)°, β = 99.4330(10)°, γ = 97.1050(10)°), and forms 2-D layers parallel to the crystallographic (ac) plane. Coordination polymer 2 crystallizes in a triclinic space group P-1 (a = 9.8102(5) ?, b = 10.5972(6) ?, c = 14.8076(8) ?, α = 91.9350(10)°, β = 100.8050(10)°, γ = 103.1350(10)°), and forms an infinite 1-D chains along the a axis.     

Synthesis and crystal structure of <Emphasis Type="Italic">catena</Emphasis>-bis(nicotinamide)aqua(μ-phthalato)copper(II) hemihydrate

The copper(II) phthalate complex with nicotinamide [CuL ₂(μ-Pht)(H₂O)] · 0.5H₂O(I) (where L is nicotinamide and Pht ^2? is an anion of phthalic acid) is synthesized and investigated using IR spectroscopy and X-ray diffraction. The crystals of compound I are monoclinic, a = 13.368(2) Å, b = 7.891(3) Å, c = 20.480(2) Å, β = 108.69(2)°, Z = 4, and space group P2₁/c. The structural units of crystal I are linear chains formed by bridging phthalate anions and crystallization water molecules. The copper atom is coordinated by two pyridine nitrogen atoms of two nicotinamide ligands (Cu-N, 2.001 and 2.045 Å), two oxygen atoms of different phthalate anions (Cu-O, 1.964 and 2.235 Å), and the oxygen atom of the H₂ O molecule (Cu-O, 2.014 Å). The coordination polyhedron of the copper atom is completed to an elongated (4 + 1 + 1) tetragonal bipyramid by the second (chelating) oxygen atom of the carboxyl group (Cu-O, 2.587 Å), which is one of the anions of phthalic acid. The linear polymer molecules are joined into complex macromolecular dimers with the closest internal contacts of the specific type. The macromolecular dimers are the main supramolecular ensembles of the crystal structure.     

Synthesis and Crystal Structure of a Cyanido-Bridged Bimetallic Copper(II)–Silver(I) Complex of Imidazole and [Ag(CN)<Subscript>2</Subscript>]<Superscript>−</Superscript>: [Cu(Imidazole)<Subscript>4</Subscript>{Ag(CN)<Subscript>2</Subscript>}<Subscript>2</Subscript>]

Abstract  

A cyanido-bridged Cu(II)–Ag(I) bimetallic complex, [Cu(Imidazole)₄{Ag(CN)₂}₂] has been prepared and structurally characterized. The compound crystallizes in the orthorhombic space group Pmna. The crystal structure of the complex consists of trinuclear molecules made up of one [Cu(Imidazole)₄]⁺² and two [Ag(CN)₂]⁻ units. The trinuclear molecules are interlinked to each other through N–H–N and C–H–N hydrogen bonds. The Cu(II) ions are located on mirrors and assume distorted octahedral geometry with the basal plane consisting of four imidazole N-atoms.     

Crystal structure of calcium bis(nitrilotriacetato)di(μ-hydroxo)dichromate(III) hexahydrate,Ca[(<Emphasis Type="Italic">Nta</Emphasis>)Cr(μ-OH)<Subscript>2</Subscript>Cr(<Emphasis Type="Italic">Nta</Emphasis>)] · 6H<Subscript>2</Subscript>O

The compound Ca[(Nta)Cr(μ-OH)₂Cr(Nta)] · 6H₂O is synthesized, and its X-ray structure analysis is performed [R₁ = 0.0285, wR₂ = 0.0766 for 4330 reflections with I > 2σ(I)]. The crystals are built of centrosymmetric dimeric anionic complexes {[Cr(Nta)(μ-OH)]₂}^2?, cationic [Ca(H₂O)₃]²⁺ fragments, and crystallization water molecules, which are linked into a three-dimensional framework. Two independent anionic complexes have similar structures but differ in the mode of binding with Ca atoms, water molecules, and adjacent anions. Distorted octahedral environments of the Cr atoms are formed by four atoms (N + 3O) of the Nta^3? tetradentate chelate ligand and two oxygen atoms of the bridging OH^? ligands. The Cr-O-Cr bridges have symmetric structures [Cr-O, 1.944–1.961(2) Å]. The Ca environment includes seven oxygen atoms of three water molecules and four anionic complexes [Ca-O, 2.397–2.430(3) Å].     

Single-crystal structure determination of a new polymorph (ε-Alq<Subscript>3</Subscript>) of the electroluminescence OLED (organic light-emitting diode) material,tris(8-hydroxyquinoline)aluminum (Alq<Subscript>3</Subscript>)

Tris(8-hydroxyquinoline) aluminum, Alq₃, is the most widely used electroluminescent material in organic light-emitting diode (OLED), chemistry. Single-crystal structure determination of a new polymorph of Alq₃, designated as -Alq₃, is described. There are three molecules of Alq₃ in the asymmetric unit. This octahedrally coordinated complex crystallizes in the triclinic space group P-1, lattice parameters a = 13.5190(5) Å, b = 15.8550(6)~Å, c = 18.7110(8) Å, = 95.4940(19), = 109.774(2), = 114.6270(16), Volume = 3296.8(2) ų, Z = 6, Z = 3.     

2,4-Pentane <Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>′-Bis(2,6-Diisopropylphenyl) ketiminato cobalt (II) (trimethylsilyl)methylene

Abstract  

The title compound [^MeL^iPrCoCH₂Si(CH₃)₃ ^MeL^iPr = 2,4-pentane-N,N′-bis(2,6-diisopropylphenyl) ketiminato] possesses trigonal planar geometry and crystallizes in monoclinic space group P2₁/n with crystal cell parameters a = 10.6155(14) ?, b = 21.279(3) ?, c = 14.8057(19) ?, β = 97.196(2)°, V = 3,318.1(7) ?³, and Z = 4. The title compound is the second reported three coordinated 13 valence electron Co(II) alkyl complex and the first such complex reported with an asymmetrically bonded alkyl group. The steric effects are discussed in comparison of known similar structures of Fe, Co, and Zn.     

Structural phase transition in crystals of the molecular conductor α′-(BDH-TTP)<Subscript>6</Subscript>[Hg(SCN)<Subscript>3</Subscript>][Hg(SCN)<Subscript>4</Subscript>]

Single crystals of the organic conductor α′-(BDH-TTP)₆[Hg(SCN)₃][Hg(SCN)₄] are studied by low-temperature X-ray diffraction at 100–300 K. It is shown that, in the temperature range 250–200 K, the compound undergoes a phase transition, which is accompanied by the appearance of superstructure reflections and a rapid increase in their intensity due to the partial anion and cation ordering. The superstructure is observed down to a temperature of 100 K, at which the set of diffraction data is collected. The temperature dependence of the electrical resistance exhibits a minimum in the range of the structural transition temperature. Under a pressure of up to 10 kbar, the general behavior of the dependence remains unchanged and only the minimum is shifted toward the low-temperature range. The phase transition is completely reversible.     

The Synthesis and Crystal Structure of (Hpy)<Subscript>3</Subscript>[PMo<Subscript>12</Subscript>O<Subscript>40</Subscript>]·2(py)

Abstract  

The novel supramolecular networks based on Keggin-type polyoxoanion, formulated (Hpy)₃[PMo₁₂O₄₀]·2(py) has been synthesized hydrothermally and determined by X-ray diffraction. The compound crystallize in Monoclinic, system with space groups and cell parameters, P2 ₁ /n, a = 10.9370(2) ?, b = 19.586(3) ?, c = 12.5500(2) ?, β = 98.618(2)°, V = 2657.8(6) ?³. Organic fragments and Keggin anions are connected via N–H···N, N–H···O contacts to form interesting 1D zigzag chain. The molecule is stabilized in solid state by electrostatic forces and intermolecular hydrogen-bonding interactions to give the confirmation of guest [PMo₁₂O₄₀]³⁻ inserting in organic host.     

Epitaxial lateral overgrowth of non-polar GaN(1 1̄ 0 0) on Si(1 1 2) patterned substrates by MOCVD

m-Plane GaN was grown selectively by metal–organic chemical vapor deposition (MOCVD) on patterned Si(1 1 2) substrates, where grooves aligned parallel to the Si〈1 1 0〉 direction were formed by anisotropic wet etching to expose the vertical Si{1 1 1} facets for growth initiation. The effect of growth conditions (substrate temperature, chamber pressure, and ammonia and trimethylgallium flow rates) on the growth habits of GaN was studied with the aim of achieving coalesced m-plane GaN films. The epitaxial relationship was found to be GaN(1 1? 0 0) || Si(1 1 2), GaN[0 0 0 1] || Si[1 1 –1], GaN[1? 1? 2 0] || Si[1 1? 0]. Among all growth parameters, the ammonia flow rate was revealed to be the critical factor determining the growth habits of GaN. The distribution of extended defects, such as stacking faults and dislocations, in the selectively grown GaN were studied by transmission electron microscopy in combination with spatially resolved cathodoluminescence and scanning electron microscopy. Basal-plane stacking faults were found in the nitrogen-wing regions of the laterally overgrown GaN, while gallium-wings were almost free of extended defects, except for the regions near the GaN/Si{1 1 1} vertical sidewall interface, where high dislocation density was observed.     

The coordination of 2-(hydroxymethyl)pyridine to oxorhenium(V). Synthesis and crystal structure of [ReOCl(C<Subscript>5</Subscript>H<Subscript>4</Subscript>N–CH<Subscript>2</Subscript>O)<Subscript>2</Subscript>]

The title compound was prepared from the reaction of (n-Bu₄N)[ReOCl₄] with a twofold molar excess of 2-(hydroxymethyl)pyridine in benzene. It has a distorted octahedral coordination geometry, and it crystallizes in the monoclinic space group P2₁/n, with cell dimensions a = 14.4545(4), b = 7.0168(2), c = 14.5269(4) Å, = 116.995(1), V = 1312.85(7) ų, and Z = 4.     

Synthesis,Crystal Structures and Physicochemical Properties of Poly[bis(<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>-Dimethylformamide)tetra(thiocyanato)metal(II) Mercury(II)] (Metal = Cadmium and Manganese)

Abstract  

Two novel single crystals, poly[bis(N,N-dimethylformamide)tetra(thiocyanato)metal(II)mercury(II)] (metal = cadmium and manganese, abbreviated as DTCM and DTMM, respectively) were prepared. The characterizations of DTCM and DTMM were performed by elemental analyses, infrared, X-ray single crystal diffraction. The two title complexes crystallized in the same monoclinic crystallographic system and P2₁/n space group with unit cell parameters: a = 9.2515(2) Å, b = 14.1670(3) Å, c = 16.5898(3) Å, β = 93.0320(10)°, z = 4, D _x  = 2.115 g/cm³ for DTCM, and a = 9.24580(10) Å, b = 14.1110(2) Å, c = 16.4937(2) Å, β = 92.9120(10)°, z = 4, D _x  = 1.960 g/cm³ for DTMM, respectively. The two structures are isostructural. The thermal decomposition processes of the two crystals were investigated by means of thermogravimetric analysis and differential thermal analysis measurements in air.     

Synthesis and Characterization of the Osmium Compound <Emphasis Type="Italic">cis</Emphasis>(CO)<Emphasis Type="Italic">–</Emphasis>ClOs(CO)<Subscript>2</Subscript>(bpcd)[C(O)Et]

Photochemical activation of the triosmium cluster Os₃(CO)₁₂ in CH₂Cl₂ solvent and ethylene, followed by treatment with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd), furnishes the new octahedral compound cis(CO)–ClOs(CO)₂(bpcd)[C(O)Et] in low yield. The title compound has been isolated and characterized in solution by IR and ¹H NMR spectroscopies, with the solid-state structure of cis(CO)–ClOs(CO)₂(bpcd)[C(O)Et] determined by X-ray diffraction analysis. cis(CO)–ClOs(CO)₂(bpcd)[C(O)Et] crystallizes in the triclinic space group P-1, a = 10.043(2), b = 11.455(2), c = 16.221(3) Å, α = 74.900(3)°, β = 76.150(3)°, γ = 76.221(2)°, V = 1718.2(5) ų, Z = 2, D _cacl = 1.717 Mg/m³; R = 0.0453, R _w = 0.0778 for 6703 observed reflections with I > 2σ(I). The presence of the chlorine and propanioyl groups in cis(CO)–ClOs(CO)₂(bpcd)[C(O)Et] is structurally confirmed, and the origin of the these groups from the reaction solvent and ethylene is discussed.     

Base-Stabilized Monomeric Stibinoalane dmap–Al(Et<Subscript>2</Subscript>)Sb(<Superscript>t</Superscript>Bu)<Subscript>2</Subscript>

Abstract  

The six-membered heterocycle [Me₂AlSb(t-Bu)₂]₃ was reacted with the strong Lewis-base 4-dimethylaminopyridine (dmap), yielding the first completely alkyl-substituted monomeric complex dmap–Al(Me₂)Sb(t-Bu)₂ 1. 1 was characterized by NMR spectroscopy and single crystal X-ray diffraction. 1 is monoclinic, space group P2 ₁ /n with a = 9.9004(2) ?, b = 16.8166(3) ?, c = 13.8400(3) ?, β = 100.746(1)° and Z = 4.     

Synthesis and Crystal Structures of the Five-Coordinate Diorganotin(IV) Complex [Ph<Subscript>2</Subscript>Sn(L)]·DMF and its 5-Hydroxypyrazoline Ligand (H<Subscript>2</Subscript>L)

Abstract  

A five-coordinate diorganotin(IV) complex [Ph₂Sn(L)]·DMF and its ligand, 5-hydroxy-3-methyl-5-phenyl-(N ⁴-phenylthiosemicarbazone)pyrazoline (H₂L), were synthesized and characterized by elemental analysis, IR, NMR (¹H, ¹³C) spectroscopies and X-ray crystallography techniques. Our studies revealed that H₂L has formed as 5-hydroxy-4,5-dihydropyrazoline derivative in orthorhombic, Pbca space group with a = 15.4330(3) ?, b = 11.5427(2) ?, c = 18.1440(3) ? whereas [Ph₂Sn(L)]·DMF crystallizes with two independent molecules (a and b) in the asymmetric unit in triclinic system, Pī space group with a = 9.2795(1) ?, b = 15.8315(2) ?, c = 19.9895(3) ?, α = 100.855(1)°, β = 92.985(1)°, γ = 102.243(1)°. In molecule a, the central Sn(IV) atom adopts a distorted tetragonal–pyramidal (TTP) geometry with N2 atom at apical position, while in molecule b the Sn(IV) occupies the centre of a trigonal-bipyramid (TBP) with N2 atom of the ONS-tridentate ligand and both Ph groups occupying equatorial positions. One molecule of DMF (crystallization solvent) helps in stabilizing the crystal structure.     

Synthesis and Crystal Structure of [Na(H<Subscript>2</Subscript>O)<Subscript>1.5</Subscript>][Na(H<Subscript>2</Subscript>O)<Subscript>3.5</Subscript>] X<Subscript>2</Subscript>·2H<Subscript>2</Subscript>O (X = 4′-Methoxy-7-Hydroxyisoflavone-3′-Sulfonate)

Abstract  

Water-soluble derivative of formononetin, [Na(H₂O)_1.5][Na(H₂O)_3.5] X₂·2H₂O(X = 4′-methoxy-7-hydroxyisoflavone-3′-sulfonate) was synthesized by sulfonation reaction. It was characterized by IR, ¹H NMR and single-crystal X-ray diffraction analysis. Single-crystal X-ray diffraction analysis showed that the title compound crystallized in a triclinic space group P-1 with cell parameters a = 6.9642(15) ?, b = 13.343(3) ?, c = 20.634(5) ?, α = 107.115(3)˚, β = 93.121(4)˚, γ = 91.911(3)˚, V = 1827.3(7) ?⁻³, D _c  = 1.575 Mg m ⁻³, Z = 2. There are two conformers of 4′-methoxy-7-hydroxyisoflavone-3′-sulfonate anions, two kinds of sodium cations, five coordinated water molecules and two lattice water molecules in the crystal structure. The sodium atoms coordinated with the oxygen atoms from water molecules, hydroxyl groups and sulfo-groups to form a Na–O coordinated network. Aromatic π···π stacking interactions and hydrogen bonding existed in the crystal structure of title compound, which together with coordinated interactions and electrostatic interactions between sodium cations and anions sulfonates C₁₆H₁₀O₄SO₃ ⁻ lead to the moieties into a three-dimensional network.     

Two Metal Complexes Supported by {VO<Subscript>3</Subscript>}<Subscript>n</Subscript><Superscript>n−</Superscript> Chains: Hydrothermal Syntheses and Crystal Structures of [M(dpa)V<Subscript>2</Subscript>O<Subscript>6</Subscript>] (M = Zn(II) and Cu(II); dpa = 2,2′-dipyridylamine)

Abstract  

Two new metal complexes supported by {VO₃}_n ⁿ⁻ chains, [M(dpa)V₂O₆] (1, M = Zn²⁺; 2·H₂O, M = Cu²⁺; dpa = 2,2′-dipyridylamine), have been synthesized hydrothermally and characterized by elemental analysis, TG analysis, IR spectroscopy and single-crystal X-ray diffraction. Crystal data: [Zn(dpa)V₂O₆] 1, Triclinic, P-1, a = 9.663(7) ?, b = 10.617(7) ?, c = 15.114(10) ?, α = 105.678(10)°, β = 104.772(9)°, γ = 94.021(10)°, Z = 2; [Cu(dpa)V₂O₆]·H₂O 2·H₂O, Monoclinic, C2, a = 20.543(3) ?, b = 7.2460(9) ?, c = 10.4853(13) ?, β = 111.318(2)°, Z = 4. Complex 1 is constructed from sinusoidal {VO₃}_n ⁿ⁻ chains with {Zn(dpa)}²⁺ fragments spanning the adjacent troughs and crests into an 1D ribbon-like structure. Complex 2 is built up by linking {VO₃}_n ⁿ⁻ chains via pairs of symmetrical {Cu(dpa)}²⁺ fragments into a 2D layered structure. The Zn(II) and Cu(II) ions exhibit tetrahedral and square pyramidal coordination environments, respectively. The formation of the two isomers is attributed to the flexibility of {VO₃}_n ⁿ⁻ chains and the different coordination configurations of the two metal ions. There exist significant π–π stacking and hydrogen bonding interactions in complexes 1 and 2.     

Pseudosymmetry in Cr(urea)<Subscript>4</Subscript>(H<Subscript>2</Subscript>O)<Subscript>2</Subscript>·3NO<Subscript>3</Subscript>

Abstract  

The low temperature crystal structure of the complex, Cr(urea)₄(H₂O)₂·3NO₃ (1), displays intriguing pseudosymmetry that complicates the structure determination. 1 crystallises in the centrosymmetric monoclinic space group P2₁/c with Z = 8 and Z′ = 2; a = 18.3338(4) ?, b = 16.5472(4) ?, c = 13.9252(3) ? and β = 106.3260(10)°, V = 4054.19(16) ?³. The two symmetry independent [Cr(urea)₄(H₂O)₂]³⁺ ions in the asymmetric unit both feature coordinated urea (O=C(NH₂)₂) and lie on general positions. A further six independent nitrate anions complete the structure. The unit cell is primitive but the two Cr³⁺ ions are related by a pseudo translation of ?, ?, 0. The deviation from a truly C-centred cell is clear from an examination of geometry of the urea ligands and the hydrogen bonds which they form. The identification of the space group in this case is described and methods for quantifying the degree of deviation from a C-centred cell discussed.     

Crystal Structures of Trinuclear Chlorido(<Emphasis Type="Italic">N,N</Emphasis>′-diethylthiourea)copper(I) and a Second Polymorph of Iodidotris(<Emphasis Type="Italic">N,N</Emphasis>′-diethylthiourea)copper(I)

Abstract  

Reactions of N,N′-diethylthiourea (Detu) with copper(I) cyanide and copper(I) iodide in a 2:1 M ratio in acetonitrile resulted in the formation of [Cu(Detu)Cl]₃·(CH₃CN)_0.5 (1) and [Cu(Detu)₃I] (2), respectively. In compound 1 each copper atom is coordinated with one sulfur atom of Detu and with one chloride ion forming a centrosymmetric trinuclear core (Cu₃S₃Cl₃) that exhibits a Cu–Cu separation of 2.7383(5) Ǻ indicating the existence of cuprophilic interactions. Complex 2 crystallizes with two independent molecules per asymmetric unit. Each copper atom is coordinated with three sulfur atoms of Detu and with one iodide ion in a tetrahedral arrangement.