Molecules In Cell Of Dimensions Research Articles

A copper(II) complex with 2-(2′-pyridyl)benzimidazole and l-arginine: synthesis, structure, antibacterial activities, and DNA interaction

A Cu(II) complex with 2-(2′-pyridyl)benzimidazole and l-arginine has been synthesized and investigated by elemental analysis, molar conductivity, IR, UV/vis, and X-ray diffraction. The complex crystallizes in the triclinic space group P1 with six molecules in a unit cell of dimensions a = 10.6397(5) Å, b = 19.2178(8) Å, c = 20.0387(9) Å, α = 75.3670(10)°, β = 79.4670(10)°, γ = 87.4470(10)°, V = 3897.6(3) Å3, R 1 = 0.0408, and wR 2 = 0.0502. The complex contains six crystallographically independent complexes, Cu1, Cu2, Cu3, Cu4, Cu5, and Cu6, which have a distorted square-pyramidal geometry. The complex was screened for its in vitro antibacterial activities against two Gram-positive (Bacillus subtilis and Staphylococcus aureus) and two Gram-negative (Escherichia coli and Salmonella) micro-organisms. The complex exhibited good antibacterial activities against the micro-organisms compared with HPB and Cu(ClO4)2. Interaction of the complex with DNA was studied by electronic absorption spectroscopy, fluorescence spectroscopy, circular dichroic spectroscopy, viscosity measurements, and agarose gel electrophoresis. Results suggest that the complex could bind to CT-DNA via partial intercalation, and cleave the plasmid DNA with involvement of hydroxyl radicals, and probably singlet oxygen-like copper-oxo species in the presence of ascorbate.

Synthesis, characterization and SOD-like activity of a ternary copper(II) complex with 1,10-phenanthroline and L-arginine

The new complex [Cu(phen)(L-arg)Cl]2 · 7H2O was prepared and characterized by elemental analysis, molar conductivity, IR, UV–Vis and X-ray diffraction methods. It crystallizes in the triclinic space group with four molecules in a unit cell of dimensions, a = 10.3733(13) Å, b = 12.4269(15) Å, c = 18.926(2) Å, α = 94.627(2)°, β = 104.864(2)°, γ = 101.032(2)°, V = 2292.8(5) Å3, Z = 2, D c = 1.493 g cm−3, µ = 1.004 mm−1, F(000) = 1072, R int = 1.113 for 7290 unique reflections. The superoxide dismutase-like activity of the complex for catalyzing the dismutation of was determined by the NBT method. The complex has high superoxide dismutase-like activity and the rate constant (K Q) of complex for catalyzing the dismutation of is 5.19 × 107 mol−1 dm3 s−1. CCDC: 645352

Synthesis, molecular structure, DNA binding and cleavage properties of a novel ternary Cu(II) complex containing dipyrido[3,2-a : 2′3′-c]phenazine and L-tryptophanate

A ternary Cu(II) complex with dipyrido[3,2-a : 2′3′-c]phenazine(dppz) and L-tryptophanate (L-trp) has been synthesized and investigated by elemental analysis, molar conductivity, IR and X-ray diffraction. The complex crystallizes in the monoclimic space group P21 with two molecules in a unit cell of dimensions, a = 7.949(2) Å, b = 10.724(3) Å, c = 18.580(5) Å, β = 93.697(5)°, V = 1580.7(8) Å3, R 1 = 0.0310, and wR 2 = 0.0382. The central copper(II) ion has a distorted square-pyramidal geometry, in which the N,O-donor tryptophanate and N,N-donor heterocyclic base dppz are in the basal plane and a water molecule is coordinated at the axial site. DNA binding properties of the complex were studied by electronic absorption spectroscopy, fluorescence spectroscopy, and viscosity measurement. The DNA cleavage of the complex was investigated by agarose gel electrophoresis. The results show that the complex can bind DNA by intercalation and cleave pBR322 DNA in the presence of ascorbate.

Synthesis, structure and SOD-like activity of a ternary Cu(II) complex with 1,10-phenanthroline and L-valinate

The ternary Cu(II) complex with 1,10-phenanthroline (phen) and L-valinate (L-Val) has been synthesized and investigated by elemental analysis, molar conductivity, UV/vis, IR, TG-DTG, and X-ray diffraction methods. The complex crystallizes in the triclinic space group P1 with two molecules in a unit cell of dimensions, a = 7.157(2) Å, b = 11.967(4) Å, c = 12.249(4) Å, α = 68.290(4)°, β = 77.813(5)°, γ = 83.490(5)°, V = 0.952.0(5) nm Å3, R 1 = 0.0297, and wR 2 = 0.0396. The crystal contains two crystallographically independent [Cu(H2O)(L-Val)(phen)]+ subunits Cu1 and Cu2, having a distorted square-pyramidal geometry with the same coordinated atoms around each copper center, the base plane being occupied by two nitrogen atoms of one phen, the amino nitrogen atom and one carboxylate oxygen atom from each independent L-Val moiety, and one water oxygen at an axial position. The SOD-like activity of the complex has been measured by means of modified nitroblue tetrazolium (NBT) photoreduction, and the IC50 value (the concentration of the complex which causes the 50% inhibition of NBT reduction) of the complex for disproportionation of is 2.48 × 10−7 M. The experimental results show that the complex is a potent superoxide dismutase mimic. CCDC: 267641.

Synthesis, crystal structure and properties of a one-dimensional L-valinate bridged coordination polymer: [Cu2(L-val)2(bpy)2] n ·2nClO4·2nH2O

The complex [Cu2(L-val)2(bpy)2] n ·2nClO4·2nH2O (L-val = L-valinate, bpy = 2,2′-bipyridine) has been synthesized and investigated by elemental analysis, IR and UV spectroscopy, DTA–TG analysis and X-ray diffraction methods. The complex crystallizes in the monoclinic space group P21 with two molecules in a unit cell of dimensions a = 10.0954(12), b = 8.1245(9), c = 23.297(3) Å, β = 102.447(2)°, V = 1865.9(4) Å3, D c = 1.614 g/cm3, μ = 1.357 mm−1, F(000) = 932, R = 0.0337, wR = 0.0847 for 7024 unique reflections. Single-crystal structure analysis reveals that cations have a one-dimensional polymeric structure, with two Cu(bpy)2+ units bridged by a carboxylate group of L-valinate. Each Cu2+ ion is in a slightly distorted square-pyramidal geometry, with the bpy(N,N′) and L-val(N,O) acting as bidentate ligands in the equatorial plane and another carboxylate oxygen atom from a symmetry-related neighboring L-valinate ion in the apical position. IR and UV spectra and thermal analysis are in agreement with the crystal structure.

Crystal Structure and Smectic Orientation of a Mesogenic Compound

The structure of the mesogenic compound 3‐Cyanobenzyl‐2,5‐bis(4‐n‐octyloxy‐benzoyl‐oxy)benzoate (3CNBOB) was investigated by single and melt crystal methods. Using a single crystal of 3CNBOB at 20 °C, the unit cell structure was determined as triclinic with two molecules in a unit cell of dimensions: a = 8.792 Å, b = 11.760 Å, c = 19.121 Å, α = 96.61°, β = 90.56°, and γ = 90.28°. Three benzene rings of the compound exhibit π–π interactions in the crystalline form. The 3CNBOB showed a liquid crystalline state in the region of 82.9 to 101.5 °C. Melt crystallization was observed by in‐situ x‐ray diffraction using a temperature slope apparatus. A smectic phase appeared in the liquid crystalline region near the boundary to the crystalline phase. The smectic molecules showed spontaneous orientation aligned with their long axes parallel to the crystallizing plane. There were two crystalline states in the bulk material. The room‐temperature crystalline form was the same as the one observed using the single crystal. The high‐temperature crystalline state developed from the smectic state. During the smectic‐crystalline transition, the packing became denser and the spontaneous orientation decreased.

Synthesis and Crystal Structure Determination of 2,2′-Sulfinyl-bis(4-methyl Phenol) and 2,2′-Thio-bis(4-methyl Phenol)

2,2′-Sulfinyl-bis(4-methyl phenol) 3 and it's thio derivative have been synthesized in this work. The reduction process of sulfoxide 3 to its thio derivative 5 was accomplished in the presence of Zn/AcOH/SiO2, under microwave irradiation. The structures have been confirmed by spectroscopic (IR, 1HNMR, 13CNMR) and single crystal x-ray diffraction methods. 2,2′-Sulfinyl-bis(4-methyl phenol) 3 crystallizes in the space group Cc of the monoclinic system with four molecules in the unit cell of dimensions a = 11.425(2) Å, b = 13.530(2) Å, c = 9.5215(17) Å, β = 117.289(4) Å, and 2,2′-thio-bis(4-methyl phenol) 5 crystallizes in the space group P 212121 of the orthorhombic system with four molecules in the unit cell of dimensions a = 9.021(1) Å, b = 10.523(2) Å, c = 13.607(2) Å, α = 90. The structures have been refined to final values for the crystallographic R factor of 0.0189(3) and 0.0248(5) based on 2999 and 3720 observed independent reflections respectively.

Synthesis, Characterization and Crystal Structure of a Ternary Cu(II) Complex with 1,10-Phenanthroline and l-Leucinate

The complex [Cu(l-Leu)(phen)(H2O)]NO3 has been synthesized and characterized by elemental analysis, molar conductivity, spectroscopic and X-ray diffraction methods, where phen = 1,10-phenanthroline and l-Leu = l-leucinate. The complex crystallizes in the triclinic space group Pī with two molecules in a unit cell of dimensions a = 7.288(4) Å, b = 11.588(7) Å, c = 12.349(3) Å, α = 86.388(10)o, β = 76.175(11)°, γ = 72.132(3)°, V = 963.8(10) Å3, Z = 2, D c = 1.564 g/cm3, μ = 1.177 mm−1, F(000) = 470, R 1 = 0.0611, and wR 2 = 0.0711. The copper(II) is ligated in a distorted square-pyramidal geometry by the two nitrogen atoms of phen and the amino nitrogen atom and one carboxylate oxygen atom from each independent l-Leu moiety in the basal plane, and one water oxygen at the apical position. A supramolecular configuration is formed from strong phen-phen stacking interactions between neighboring [Cu(l-leu)(phen)(H2O)]+cations in the crystal.

Synthesis, Characterization and Molecular Structure of Ternary Cu(II) Complex with 1, 4, 8, 9‐Tetraazatriphenylene and L‐Phenylaninate

AbstractThe complex [Cu(L‐Phe)(TATP)(H2O)]ClO4.0.5H2O has been synthesized and investigated by elemental analysis, molar conductivity, spectroscopic and X‐ray diffraction methods, where TATP= 1,4,8,9‐tetraazatriphenylene and L‐phe = L‐phenylaninate group. The complex crystallizes in the triclinic space group PI with two molecules in a unit cell of dimensions a=0.5730(l), b = 1.0190(2), c = 2.1430(4), α= 97.50 (1)°, β = 95.33(3)°, γ= 102.85(1)°, V= 1.1998(4) nm3, R1 = 0.0360, wR2 = 0.0400. The crystal contains two independent [Cu(L‐Phe) (TATP)(H2O)]+ complexes Cu1 and Cu2, having essentially the same distorted square‐pyramidal structure, where each Cu(II) ion coordinates two nitrogen atoms of TATP and the amino nitrogen and carboxylate oxygen atoms of L‐Phe in the equatorial positions and one water oxygen at an axial position.

STRUCTURE OF 4-HYDROXYPHENYLARSONIC ACID AND 4-METHOXY-3-NITROPHENYLARSONIC ACID

Abstract 4-Hydroxyphenylarsonic acid 1 crystallizes in the monoclinic space group P21/c. Four molecules are localized in a unit cell of dimensions a = 5.739(1); b = 7.226(2); c = 17.856 (2) A; β = 90.74(2)°. The arsenic atom is tetrahedrally connected to one carbon and three oxygen atoms with the average angle around it being 109.3°. There is an extensive hydrogen bond system, involving every phenolic and arsonic acid group. 4-Methoxy-3-nitrophenylarsonic acid 2 crystallizes orthorhombic in the space group Pbca with eight molecules in a unit cell of dimensions a = 6.883 (3); b = 14.659 (7); c = 18.67 (I) A. The arsenic atom is also tetrahedrally connected to one carbon and three oxygen atoms with the average angle around it being 109.2°. The molecules of 2 are linked along axis x through O…O hydrogen bonds between the oxygen atoms of the arsonic acid groups in endless chains.

Crystal and Molecular Structure of the Laterally Branched Nematogenic Compound 2-n-Nonyl-1,4-phenylene Bis (4-n-octyloxybenzoate)

Abstract The crystal and molecular structure of the nematogenic compound 2-n-nonyl-1,4-phenylene bis(4-n-octyloxybenzoate) (NPOB) has been determined at – 100°C and at room temperature by X-ray analysis. NPOB crystallizes in space group P1 with two molecules in a unit cell of dimensions (values of the room temperature investigation are given in brackets) a = 9.878(2) [10.165(4)], b = 12.700(3) [12.863(5)], c = 17.830(4) [17.940(6)] A, α = 71.83(2) [69.65(2)], β = 84.58(2) [85.23(2)], γ = 76.11(2) [75.43(2)]°. The structure was solved by direct methods and refined to an R value of 0.056 [0.108]. The most striking features of the molecular structure are the all-trans-conformation of the laterally branched nonyl group and the nearly parallel alignment of all three alkyl substituents. The crystal structure is characterized by a parallel arrangement and an interlocked packing of the molecules.

Crystal structure and conformational analysis of angiotensinogen fragments.

The tripeptide acetyl-L-prolyl-L-phenylalanyl-L-histidine crystallizes in the orthorhombic space group P2(1)2(1)2(1) with eight molecules in a unit cell of dimensions a = 9.028(2), b = 140.54(6) and c = 42.41(1)A. The structure has been solved by direct methods and refined to an R value of 0.056 for 2904 observed reflections. The molecule exists as a zwitterion with terminal (His)CO2- and (imidazole)H+ as charged groups. The two peptide molecules in the structure adopt a type I beta-turn with Pro and Phe as the corner residues. The main conformational difference between the two crystallographically independent molecules is seen to be in the histidine side-chain orientations. The molecules arrange themselves in sheets perpendicular to the c axis. All hydrophobic side chains lie on one side of the sheets thus generated, whereas the hydrophilic groups are located on the other side. An interesting feature of the crystal structure is the existence of a water layer between adjacent peptide sheets. The conformational study of the isolated Ac-His-Pro-Phe-His-MA using energy calculations gives a rather limited number of stable conformers. The most stable corresponds to a type I beta-turn stabilized through two hydrogen bonds, followed by a less stable type II beta-turn (delta E = 2.0 kcal) and a partly helical structure (delta E = 2.6 kcal).

ChemInform Abstract: Preparation, Properties, and Crystal Structure of a Novel Series of Macrocyclic Organocobalt Complexes

The organocobalt complexes ((H/sub 2/O)((14)aneN/sub 4/)CoR)(ClO/sub 4/)/sub 2/ (R = primary alkyl, substituted primary alkyl, and benzyl; (14)aneN/sub 4/ = 1,4,8,11-tetraazacyclotetradecane) were prepared photochemically from the corresponding alkylcobaloximes and the cobalt(II) macrocycle. The complexes were characterized by elemental analysis, /sup 1/H NMR spectroscopy, a crystal structure determination for R = ethyl, and uv-visible spectroscopy. The ethyl complex, ((H/sub 2/O)((14)aneN/sub 4/)CoC/sub 2/H/sub 5/)(ClO/sub 4/)/sub 2/ /times/ H/sub 2/O, crystallizes in the monoclinic crystal system, space group P2/sub 1//n, with four molecules in a unit cell of dimensions a = 8.901 (11) /angstrom/, b = 12.254 (21) /angstrom/, c = 19.637 (15) /angstrom/ and /beta/ = 91.76 (22)/degree/. The data refined to a final value of the weighted R factor of 0.083 based on 1242 independent observations. The complex is hexacoordinated, with the ethyl group and a coordinated molecule of water as axial ligands. All of the complexes are photosensitive and readily decompose to cobalt(II) and carbon-centered radicals when irradiated with visible light. Air-stable acidic aqueous solutions of the alkyl complexes show no sign of decomposition in hours when kept in the dark. The hydroxymethyl complex, prepared by a modified Fenton reaction, is air-sensitive, and the benzyl complex undergoes rapid homolysis ofmore » the cobalt-carbon bond. 31 references, 1 figure, 5 tables.« less

Crystal structure and spectroscopic properties of mercury(II) halide complexes. Part 4. Crystal and molecular structure and circular dichroism spectra of the chiral 1 : 1 adduct (S)s(S)c(–)589-methyl 2-phenylbutyl thioether–mercury(II) chloride

The crystal and molecular structure of (–)589[(S)s(S)c-Me(EtCHPhCH2)S·HgCl2]2 has been determined by the heavy-atom method from three-dimensional X-ray data collected by counter methods and refined by least-squares techniques to R 0.0468 for 1 207 observed reflections. Crystals are monoclinic, space group P21, with two molecules in a unit cell of dimensions a= 8.457(3), b= 5.634(3), c= 14.667(6)A, and β= 94.68(4)°. The S atom of the donor molecule and the non-bridging Cl(1) atom are strongly bonded to Hg [2.433(4) and 2.315(5)A, respectively]. The overall co-ordination sphere of Hg also includes three crystallographically equivalent bridging Cl(2) atoms [2.677(5), 2.838(10), and 2.995(10)A], and a very weakly π-bonded Ph ring (3.64 A), thus completing an approximately octahedral array. The triply bridging action of Cl(2) leads to the formation of a polymeric structure in which the molecules are linked in chains and further into ribbons parallel to the b axis. l.r. spectroscopic data are consistent with a bent Cl–Hg–Cl moiety. The absolute configuration at both chiral centres of the diastereoisomer is S. The (S)s absolute configuration at the sulphur atom has been correlated with the negative Cotton effect assigned to a charge-trasfer transition at 265 nm in the circular dichroism spectrum. The diastereoselective synthesis of the complex has been confirmed.

Structural evidence for non-reactivity towards dehydroralogenation in a bis-t-butylamine-t-butylimido complex of tungsten(V). The preparation and X-ray crystal structure of [W(NCMe3)Cl3(NH2CMe3)2

Abstract Reaction of WCl6 with four equivalents of Me3SiNHCMe3 in benzene gives a low yield of [W(NCMe3)Cl3(NH2CMe3)2] for which the IR spectrum indicates a mer arrangement of metal trichlorides. Further dehydrohalogenation to give an amido ligand does not take place. The structure of the complex was determined by single-crystal X-ray diffraction methods. The crystals are monoclinic, space group C2/c with four molecules in a unit cell of dimensions a = 19.701(3), b = 9.674(2), c = 11.430(2) A and β = 116.40(1)°. The structure was solved by Patterson and Fourier methods and refined to an R value of 0.030. The tungsten atom is in a distorted octahedral environment comprising three mer chloro ligands, two trans t-butylamine ligands and a t-butylimido ligand. A crystallographic two-fold axis passes through Cl(1), W and Nt-butylimido. Observed distances are WNt-butylimido = 1.728(5), WNt-butylamine = 2.230(4), WCl(2)=2.407(1) and WCl(1) = 2.473(2)A. The Cl(2)WNt-butylamine bond angle is 99.0(1)°. The t-butylamine quaternary carbon, C(21), lies close to the equatorial plane thereby reducing methyl group contact with the t-butylimido methyls. Rotation about the N(2)C(21) bond positions the methyl groups C(22) and C(24) above and below the equatorial plane. The hydrogens on N(2) also lie above and below the plane. As a consequence of this arrangement the NH and Cl atoms are unfavourably placed for further dehydrohalogenation to occur.

Clemmensen Reduction. IX. Structure and Reactions of a Cyclopropane-1,2-diol

The β-keto aldehyde , 1-methyl-2-oxocyclododecanecarbaldehyde (4), was converted into a mixture of two cyclopropane-1,2-diyl diacetates , 12- methyl- cis-bicyclo [10.1.0]tridecane-cis-1,13-diyl diacetate (6) and 12- methyl-trans- bicyclo [10.1.0]tridecane-trans-1,13-diyl diacetate (8). The structure of (6) was established by means of a single-crystal X-ray study. The crystals are monoclinic, space group P21/c, with four molecules in a unit cell of dimensions a 12.326(1), b 14.998(2), c 10.388(3) Ǻ, β 108.33(1)°. The structure was solved by direct methods, and refined to an R factor of 0.059. Protonolysis of the corresponding diols leads to compounds not normally encountered in such systems but the genesis of the major products can be rationalized.

ChemInform Abstract: New‐Dimensional Cyclam. Synthesis, Crystal Structure, and Chemical Properties of Macrocyclic Tetraamines Bearing a Phenol Pendant.

AbstractThe 13‐15‐membered macrocycles (III) and (VI) attached with a phenolic pendant are prepared from the coumarins (I).

Crystal Structure and Conformational Behavior of Smectogenic 2-Phenyl-5-(4-n-pentoxyphenyl) Pyrimidine

Abstract The crystal structure of the title compound with the formula C6H5–C4N2H,– C6H4–OC5H11 (2-PPePP) has been determined as part of a study of the conformational behavior of mesogenic phenyl pyrimidines. The compound crystallizes in space group PI with four molecules in a unit cell of dimensions a = 10.055(1), b = 9.621(2), c = 19.223(3) A, α = 91.30(1), β = 103.90(2), γ = 97.60(2)°. The structure has been solved by direct methods and refined to R = 0.074. The 2-PPePP molecules adopt a stretched form. The pentyloxy groups are partly disordered (molecule 1) and contain gauche bonds. The central pyrimidine ring is approximately coplanar with the phenyl rings attached to it in the 2- and 5-positions with interplanar angles of about 8° in both cases. This somewhat unexpected conformational behavior is compared with the results of stereochemical and theoretical considerations. The 2-PPePP molecules are arranged in the crystalline state exactly parallel to each other forming sheets as well as a tilted layer...

Binuclear Copper(II) Complexes of Some Tetradentate Pyridyl Phthalazine Ligands. Structure, Electrochemistry and Magnetism - Crystal-Structure of Aqua-µ-[1,4-Di-(4',6'-Dimethylpyridin-2'-Ylamino)-Phthalazine-N1',µ-N2 ,µ-N3,N1'']-µ-Hydroxo-Dinitratodicopper(II) Nitrate

The molecular structure of aqua-μ-[1,4-di(4′,6′-dimethylpyridin-2′- ylamino )phthalazine-N1′,μ-N2,μ-N3,N1′]-μ- hydroxo-dinitratodicopper (II) nitrate has been determined by single-crystal X-ray diffractometry . The compound is triclinic, space group Pī , with two molecules in the unit cell of dimensions a 7.8064(11), b 12.9137(14), c 14.8564(14), α 69.857(8), β 80.074(10), γ 83.659(11). The structure was refined by least-squares to a residual of 0.057 for 2806 reflections. The binuclear centre in the complex involves a five-coordinate and a tetragonally distorted six-coordinate copper atom, each with a coordinated, bidentate nitrate, a copper-copper separation of 3.156 Ǻ and a Cu-O(H)-Cu bridge angle of 113.7°. This complex, and other related systems, exhibit low room-temperature magnetic moments (< 1.2 BM), suggesting antiferromagnetically coupled binuclear copper centres , and in the case of the complex [Cu2( paps )(OH)Cl3].3H2O variable- temperature magnetic data indicate moderately strong exchange with -2J = 432 cm-1. Very high redox potentials are observed for these complexes [0.00-0.83 V (v. s.c.e .)] involving two-electron transfer in one step or two separate steps.

The reaction of a bridged vinylidenedi-iron complex with cobalt, iron, and manganese carbonyl species; X-ray crystal structures of the complexes [Fe3(µ3-CMe)(µ-CO)2(CO)6(η-C5H5)] and [Co3Fe(µ4-CCH2)(µ-CO)2(CO)7(η-C5H5)

Treatment of trans-[Fe2(µ-CCH2)(µ-CO)(CO)2(η-C5H5)2] with [Fe2(CO)9] in diethyl ether affords [Fe3(µ3-CMe)(µ-CO)2(CO)6(η-C5H5)](1), which was characterised by X-ray crystallography, and shown to contain a tetrahedral CFe3 core which has near, but not exact, mirror symmetry. The Fe3 triangle has two nearly equal sides [2.519(1) and 2.509(1)A] and one longer side [2.602(1)A], the two former being bridged approximately symmetrically by carbonyl ligands. The Fe3 triangle is triply bridged by the µ3-CMe ligand, but with the C atom significantly closer to the unique iron atom, which also carries the cyclopentadienyl ligand. The C-Me vector is perpendicular to the Fe3 plane, and the terminal carbonyl ligands form two mutually orthogonal sets of three on each of the ‘basal’ iron atoms. Crystals of (1) are monoclinic, space group P21/c with four molecules in a unit cell of dimensions a= 8.943(4), b= 12.156(4), c= 15.904(8)A, and β= 103.57(4)°; R= 0.026 for 2 771 intensities [I 3.0σ(I)]. Reaction of compound (1) with C5H6 in toluene, or thermolysis of the complex trans-[Fe2(µ-CCH2)(µ-CO)(CO)2(η-C5H5)2], gives [Fe3(µ3-CMe)(µ-CO)3(η-C5H5)3]. Treatment of trans-[Fe2(µ-CCH2)(µ-CO)(CO)2(η-C5H5)2] with [Co2(CO)8] in diethyl ether yields as the principal product [Co3Fe(µ4-CCH2)(µ-CO)2(CO)7(η-C5H5)](3). The latter complex was shown by X-ray crystallography to have a Co3Fe core arranged as a ‘butterfly’(interplanar angle 124°) with the iron atom occupying one of the ‘wingtips’ and carrying the cyclopentadienyl ligand. The molecule has overall CS symmetry (required crystallographically), the mirror being defined as the perpendicular bisector of the body of the butterfly. The µ4-C atom bridges the four metal atoms on the concave side, and the –CCH2 moiety is η2-bonded to the wingtip cobalt atom. Two of the nine carbonyl ligands bridge the Co–Fe edges, approximately symmetrically; the other seven are terminal and form orthogonal sets (2 + 2 + 3). Crystals of (3) are orthorhombic, space group Pcam, with four molecules in a unit cell of dimensions a= 18.135(16), b= 8.194(9), and c= 12.711(10)A; R= 0.054 for 1 772 intensities [I 2.0σ(/)]. The trimanganese complex [Mn3(µ-H)3(CO)12] reacts with trans-[Fe2(µ-CCH2)(µ-CO)(CO)2(η-C5H5)2] in benzene to form the mixed-metal cluster [Fe2Mn(µ3-CMe)(µ-CO)3(CO)3(η-C5H5)2].