scholarly journals Crystal structure ofcatena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ3-acetato-κ3O:O:O′-tri-μ2-acetato-κ6O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate]

2015 ◽  
Vol 71 (8) ◽  
pp. m148-m149
Author(s):  
Mohammad Iqbal ◽  
James Raftery ◽  
Peter Quayle
Keyword(s):  
Coordination Polymer ◽  
Rotation Axis ◽  
Metal Organic Framework ◽  
Solvent Molecule ◽  
Central Metal ◽  
Imidazolium Cation ◽  
One Dimensional ◽  
Paddle Wheel ◽  
Internuclear Axis ◽  
Solvent Molecules

The title copper(II) complex, {(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2}n, is a one-dimensional coordination polymer. The asymmetric unit is composed of a copper(II) tetraacetate paddle-wheel complex, a Cl−anion situated on a twofold rotation axis, half a 1,3-bis(2,6-diisopropylphenyl)imidazolium cation (the whole molecule being generated by twofold rotation symmetry) and one and a half of a dichloromethane solvent molecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetranuclear copper(II) acetate `paddle-wheel' complex which arises from the dimerization of the copper(II) tetraacetate core comprising of three μ2-bidentate acetate and one μ3-tridentate acetate ligands per binuclear paddle-wheel complex. Both CuIIatoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (τ = 0.04), with a Cu...Cu separation of 2.6016 (2) Å. The apical coordination site of one CuIIatom is occupied by an O atom of a neighbouring acetate bridge [Cu—O = 2.200 (2) Å], while that of the second CuIIatom is occupied by a bridging chloride ligand [Cu...Cl = 2.4364 (4) Å]. The chloride bridge is slightly bent with respect to the Cu...Cu internuclear axis [Cu—Cl—Cu = 167.06 (6)°] and the tetranuclear units are located about a twofold rotation axis, forming the one-dimensional polymer that propagates along [101]. Charge neutrality is maintained by the inclusion of the 1,3-bis(2,6-diisopropylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and dichloromethane solvent molecules are linked to the coordination polymer by various C—H...O and C—H...Cl hydrogen bonds. There are no other significant intermolecular interactions present.

scholarly journals Crystal structure of tetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate

2015 ◽  
Vol 71 (5) ◽  
pp. m116-m117
Author(s):  
Weilun Wang ◽  
Jingwen Ran
Keyword(s):  
Rotation Axis ◽  
Point Group ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Hydrogen Bond Interactions ◽  
Water Solvent ◽  
Phenol Hydroxy Group ◽  
Solvent Molecules ◽  
Hydroxy Groups

The title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu4O4core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)methyl]iminomethyl}phenol ligand are deprotonated, while the secondary amine and the other two hydroxy groups remain unchanged. The CuIIatoms in the Cu4O4core are connected by four μ3-O atoms from the deprotonated alcohol hydroxy groups. Each of the pentacoordinated CuIIions has an NO4distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H...O hydrogen-bond interactions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy.

Supramolecular architecture of metal–organic frameworks involving dinuclear copper paddle-wheel complexes

2013 ◽  
Vol 69 (12) ◽  
pp. 1498-1502 ◽  
Author(s):  
Sundaramoorthy Gomathi ◽  
Packianathan Thomas Muthiah
Keyword(s):  
Metal Organic Framework ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Dinuclear Copper ◽  
Paddle Wheel ◽  
Water Solvent ◽  
Carboxylate Groups ◽  
Metal Organic

The two centrosymmetric dinuclear copper paddle-wheel complexes tetrakis(μ-4-hydroxybenzoato-κ2O:O′)bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ2O:O′)bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two CuIIions are bridged by foursyn,syn-η1:η1:μ carboxylate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal–organic framework of (I) consists of three differentR22(20) and anR44(36) ring motif formedviaO—H...O and OW—HW...O hydrogen bonds. Complex (II) simply packs as molecular species.

scholarly journals Crystal structure of poly[bis(ammonium) [bis(μ4-benzene-1,3,5-tricarboxylato)dizincate] 1-methylpyrrolidin-2-one disolvate]

2016 ◽  
Vol 72 (5) ◽  
pp. 764-767 ◽  
Author(s):  
Carlos Ordonez ◽  
Marina S. Fonari ◽  
Qiang Wei ◽  
Tatiana V. Timofeeva
Keyword(s):  
Metal Organic Framework ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Outer Sphere ◽  
Charge Balance ◽  
Coordination Environment ◽  
Secondary Building Units ◽  
Metal Organic ◽  
Solvent Molecules ◽  
Anionic Framework

The title three-dimensional metal–organic framework (MOF) compound, {(NH4)2[Zn2(C9H3O6)2]·2C5H9NO}n, features an anionic framework constructed from Zn2+cations and benzene-1,3,5-tricarboxylate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butylamine in the solvothermal synthesis of the compound. Binuclear {Zn2(COO)2} entities act as the framework's secondary building units. Each ZnIIatom has a tetrahedral coordination environment with an O4set of donor atoms. The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methylpyrrolidin-2-one solvent molecules and ammonium cations. The latter are held in the channelsviafour N—H...O hydrogen bonds, including three with the benzene-1,3,5-tricarboxylate ligands of the anionic framework and one with a 1-methylpyrrolidin-2-one solvent molecule.

scholarly journals A Metal-organic Framework with Paddle-wheel Zn2(CO2)4 Secondary Building Units and Cubane-1,4-dicarboxylic Acid Linkers

2019 ◽  
Author(s):  
Dávid Földes ◽  
Éva Kováts ◽  
Gábor Bortel ◽  
Emma Jakab ◽  
Sándor Pekker
Keyword(s):  
Crystal Structure ◽  
Dicarboxylic Acid ◽  
Metal Organic Framework ◽  
Inert Atmosphere ◽  
Square Lattice ◽  
Two Dimensional ◽  
Paddle Wheel ◽  
Underlying Network ◽  
Secondary Building Units ◽  
Solvent Molecules

A new crystal structure of catena-(bis((µ4-cubane-1,4-dicarboxylato)-(N-methyl-2-pyrrolidone)-zinc(II)) N-methyl-2-pyrrolidone solvate) (1) was prepared by solvothermal method. The crystal structure of the compound was analyzed by single-crystal X-ray diffraction. It has a P1 space group, with lattice parameters a = 10.7190(4) Å, b = 10.8245(5) Å, c = 10.8403(8) Å, α = 80.291(5)°, β = 70.0015(5)°, γ = 77.531(4)°, V = 1147.97(12) Å3. The secondary building units of 1 consist of 2 central Zn ions, coordinated by 4 carboxylate groups in a bis-monodentate way, forming a square planar configuration of Zn2(CO2)4, known as paddle-wheel units. The paddle-wheels are connected by cubane-1,4-dicarboxylic acid linkers at the edges, resulting in a two-dimensional coordination polymer with a square lattice (sql) underlying network topology. The axial sites of the zinc atoms are occupied by N-methyl-2-pyrrolidone molecules. In this new crystal structure the two-dimensional polymer planes are interstacked by weak dispersion bonds. The axial N-methyl-2-pyrrolidone solvent molecules determine the distances of planar polymer planes. The thermal properties of this new structure were studied by thermogravimetry/mass spectrometry in inert atmosphere. It was found, that the organic linkers in the framework structure do not decompose below 200 °C. The stochiometry of the activated compound is Zn2[C8H6(COO)2]2(C5H9NO)2, as determined by thermogravimetry in oxidative atmosphere.

scholarly journals Crystal structure of an HgIIcoordination polymer with an unsymmetrical dipyridyl ligand:catena-poly[[[dichloridomercury(II)]-μ-N-(pyridin-4-ylmethyl)pyridin-3-amine-κ2N:N′] chloroform hemisolvate]

2016 ◽  
Vol 72 (11) ◽  
pp. 1513-1516 ◽  
Author(s):  
Suk-Hee Moon ◽  
Donghyun Kang ◽  
Ki-Min Park
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Solvent Molecules

The asymmetric unit of the title compound, {[HgLCl2]·0.5CHCl3}n(L=N-(pyridin-4-ylmethyl)pyridin-3-amine, C11H11N3), contains one HgIIion, one bridgingLligand, two chloride ligands and a chloroform solvent molecule with half-occupancy that is disordered about a crystallographic twofold rotation axis. Each HgIIion is coordinated by two pyridine N atoms from two symmetry-relatedLligands and two chloride anions in a highly distorted tetrahedral geometry with bond angles falling in the range 99.05 (17)–142.96 (7)°. EachLligand bridges two HgIIions, forming polymeric zigzag chains propagating in [010]. In the crystal, the chains are linked by intermolecular N/C—H...Cl hydrogen bonds together with weak C—H...π interactions, resulting in the formation of a three-dimensional supramolecular network, which is further stabilized by C—Cl...π interactions between the solvent chloroform molecules and the pyridine rings ofL[chloride-to-centroid distances = 3.442 (11) and 3.626 (13) Å]. In addition, weak Cl...Cl contacts [3.320 (5) Å] between the chloroform solvent molecules and the coordinating chloride anions are also observed.

scholarly journals Crystal structure of aquatris(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II) 2.5-hydrate

2016 ◽  
Vol 72 (9) ◽  
pp. 1263-1266
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Rotation Axis ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Water Solvent ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
Short Contacts

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)3(H2O)]·2.5H2O, comprises one CoIIcation, three isonicotinamide ligands, two thiocyanate anions, one aqua ligand and two water solvent molecules in general positions, as well as one water solvent molecule that is located on a twofold rotation axis. The CoIIcations are octahedrally coordinated by two terminallyN-bonded thiocyanate anions, one water molecule and three isonicotinamide ligands, each coordinatingviathe pyridine N atom. The discrete complexes are linked by intermolecular O—H...O, N—H...O and N—H...S hydrogen bonding into a three-dimensional network that contains cavities in which the solvent water molecules are located. The latter are linked by further O—H...O hydrogen bonds to the network. There are additional short contacts present in the crystal, indicative of weak C—H...S, C—H...O and C—H...N interactions.

scholarly journals Tris(4,4′-di-tert-butyl-2,2′-bipyridine)(trans-4-tert-butylcyclohexanolato)deca-μ-oxido-heptaoxidoheptavanadium acetonitrile monosolvate including another unknown solvent molecule

IUCrData ◽  
2020 ◽  
Vol 5 (4) ◽  
Author(s):  
Shintaro Kodama ◽  
Shota Kondo ◽  
Akihiro Nomoto ◽  
Akiya Ogawa
Keyword(s):  
Solvent Molecule ◽  
Cluster Complex ◽  
Crystal Data ◽  
Chemical Formula ◽  
Asymmetric Unit ◽  
Oxide Cluster ◽  
Acta Cryst ◽  
One Dimensional ◽  
Dimensional Network ◽  
Solvent Molecules

The title heptanuclear alkoxido(oxido)vanadium(V) oxide cluster complex, [V7(C10H19O)O17(C18H24N2)3]·CH3CN, was obtained by the reaction of [V8O20(C18H24N2)4] with 4-tert-butylcyclohexanol (mixture of cis and trans) in a mixed CHCl3/CH3CN solvent. The complex has a V7O18N6 core with approximately C s symmetry, which is composed of two VO4 tetrahedra, two VO6 octahedra and three VO4N2 octahedra. In the crystal, these complexes are linked together by weak intermolecular C—H...O hydrogen bonds between the 4,4′-di-tert-butyl-2,2′-bipyridine ligand and the V7O18N6 core, forming a one-dimensional network along the c-axis direction. Besides the complex, the asymmetric unit contains one CH3CN solvent molecule. The contribution of other disordered solvent molecules to the scattering was removed using the SQUEEZE option in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The unknown solvent molecules are not considered in the chemical formula and other crystal data.

scholarly journals Crystal structure of a Pd4carbonyl triphenylphosphane cluster [Pd4(CO)5(PPh3)4]·2C4H8O, comparing solvates

2016 ◽  
Vol 72 (2) ◽  
pp. 120-123 ◽  
Author(s):  
Koen Robeyns ◽  
Christopher Willocq ◽  
Bernard Tinant ◽  
Michel Devillers ◽  
Sophie Hermans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Solvent Molecule ◽  
Gold Complexes ◽  
Acta Cryst ◽  
Gradual Loss ◽  
Solvent Molecules

Attempts to synthesize Au–Pd heterometallic compounds from homonuclear palladium or gold complexes, [Pd(PtBu2)2] and [Au(PPh3)Cl] in a tetrahydrofuran (THF) solution under a CO atmosphere resulted in a homonuclear Pd cluster, namely pentakis(μ-carbonyl-κ2C:C)tetrakis(triphenylphosphane-κP)tetrapalladium(5Pd—Pd) tetrahydrofuran disolvate, [Pd4(CO)5(C18H15P)4]·2C4H8O. The complex molecule lies on a twofold rotation axis. The crystal structure is described in relation to the CH2Cl2solvate previously determined by our group [Willocqet al.(2011).Inorg. Chim. Acta,373, 233–242], and in particular to the desolvated structure [Felthamet al.(1985).Inorg. Chem.24, 1503–1510]. It is assumed that the title compound transforms into the latter structure, upon gradual loss of solvent molecules. In the title compound, the symmetry-unique THF solvent molecule is linked to the complex molecule by a weak C—H...O hydrogen bond. Contributions of disordered solvent molecules to the diffraction intensities, most likely associated with methanol, were removed with the SQUEEZE [Spek (2015).Acta Cryst.C71, 9–18] algorithm.

scholarly journals Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

2021 ◽  
Author(s):  
Shiraz Ahmed Siddiqui ◽  
Alexander Prado-Roller ◽  
Hidetsugu Shiozawa
Keyword(s):  
Coordination Polymer ◽  
Metal Organic Framework ◽  
Ph Control ◽  
Laser Raman Spectroscopy ◽  
Organic Crystals ◽  
Crystalline Materials ◽  
One Dimensional ◽  
Laser Raman ◽  
Metal Organic ◽  
Organic Framework

<div>Synthesis of crystalline materials is crucial in the field of</div><div>coordination chemistry. In the present work, the reaction</div><div>between the copper and benzene-1,3,5-tricarboxylic acid</div><div>(BTC) ligand is controlled by adjusting the pH of the</div><div>reaction mixture to synthesize two crystalline structures:</div><div>metal-organic framework HKUST-1 and one-dimensional</div><div>coordination polymer Cu(BTC).3H<sub>2</sub>O. Single crystals of both</div><div>structures are studied by multi-laser Raman spectroscopy.</div><div>It is found that both crystals exhibit photoluminescence.</div><div>Also, the transformation of HKUST-1 into Cu(BTC).3H<sub>2</sub>O is</div><div>demonstrated. This work provides impetus for researchers</div><div>to synthesize large metal-organic crystals.</div>

scholarly journals Room Temperature Synthesis of Cu-BTC Coordination Polymer and Metal-Organic Framework by pH Control

2021 ◽  
Author(s):  
Shiraz Ahmed Siddiqui ◽  
Alexander Prado-Roller ◽  
Hidetsugu Shiozawa
Keyword(s):  
Coordination Polymer ◽  
Metal Organic Framework ◽  
Ph Control ◽  
Laser Raman Spectroscopy ◽  
Organic Crystals ◽  
Crystalline Materials ◽  
One Dimensional ◽  
Laser Raman ◽  
Metal Organic ◽  
Organic Framework

<div>Synthesis of crystalline materials is crucial in the field of</div><div>coordination chemistry. In the present work, the reaction</div><div>between the copper and benzene-1,3,5-tricarboxylic acid</div><div>(BTC) ligand is controlled by adjusting the pH of the</div><div>reaction mixture to synthesize two crystalline structures:</div><div>metal-organic framework HKUST-1 and one-dimensional</div><div>coordination polymer Cu(BTC).3H<sub>2</sub>O. Single crystals of both</div><div>structures are studied by multi-laser Raman spectroscopy.</div><div>It is found that both crystals exhibit photoluminescence.</div><div>Also, the transformation of HKUST-1 into Cu(BTC).3H<sub>2</sub>O is</div><div>demonstrated. This work provides impetus for researchers</div><div>to synthesize large metal-organic crystals.</div>

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