scholarly journals Synthesis, Crystal Structure and Hydrogen Bonding of μ- Hydroxo-μ-peroxo-bis[bis(ethylenediamine)cobalt(III)] squarate

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Electron Configuration ◽  
Coordination Polyhedra ◽  
Thermoanalytical Investigations ◽  
Hydroxo Group ◽  
Decomposition Processes ◽  
Subsequent Decomposition

Black-brown needle-shaped single crystals of [Co2(en)4(O2)(OH)][C4O4]1.5 4H2O(en = ethylenediamine) have been prepared in aqueous solution at room temperature. Spacegroup P-1 (no.2) with a = 800.20(8), b = 1225.48(7), c = 1403.84(9) pm, = 100.282(5), =94.515(7), = 95.596(6)°. The Co3+ cations [Co(1), Co(2)] are coordinated in an octahedralmanner by four nitrogen atoms stemming from the ethylenediamine molecules and twooxygen atoms each from a hydroxo group and a peroxo group, respectively. Both Co3+coordination polyhedra are connected by a common corner and by the peroxo group leadingto the binuclear [(en)2Co(O2)(OH)Co(en)2]3+ cation. The squarate dianions, not bonded toCo3+, and the [(en)2Co(O2)(OH)Co(en)2]3+ cations are linked by hydrogen bonds forming athree-dimensional supramolecular network containing water molecules. Magneticmeasurements reveal a diamagnetic behaviour indicating a low-spin electron configuration ofCo3+. The UV-Vis spectra shows two LMCT bands ( *(O22 ) d *(Co3+)) at 274 and 368nm and the d-d transition (1A1g 1T1g) at 542 nm. Thermoanalytical investigations in airshow that the compound is stable up to 120 °C. Subsequent decomposition processes to cobaltoxide are finished at 460 °C.

scholarly journals A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n 2n- Polyanions

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Aqueous Solution ◽  
Coordination Polymer ◽  
Oxygen Atom ◽  
Room Temperature ◽  
Water Molecules ◽  
The Novel ◽  
One Dimensional ◽  
Thermoanalytical Investigations ◽  
Decomposition Processes ◽  
Weak Hydrogen Bonds

Blue monoclinic single crystals of the novel one-dimensional [H3N-(CH2)6-NH3][Cu(H2O)2(urea)(μ2-C6(COO)4 (COOH)2)]H2O coordination polymer have beenprepared in aqueous solution at room temperature in the presence of 1,6-diaminohexane andurea. Space group P21/n (no. 14) with a = 958.48(9), b = 1465.74(11), c = 1821.14(12) pm, beta= 97.655(8)°. The Cu2+ cation is coordinated in a square pyramidal manner by two oxygen atoms stemming from the dihydrogen mellitate tetraanion, one oxygen atom from the ureamolecule, and two water molecules. The Cu−O distances are between 193.3(2) and 229.4(2)pm. The connection between Cu2+ and [C6(COO)4(COOH)2]4 yields infinite chain-likepolyanions parallel to [ 01] with a composition of{Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-. The dihydrogen mellitate tetraanion adopts a μ2coordination mode. The [(H3N-(CH2)6-NH3)]2+ cations are accommodated between the chainsas counter cations. The hexane-1,6-diammonium cations adopt a partial synclinal conformation. The chains are connected by strong and weak hydrogen bonds. Magneticmeasurements reveal a paramagnetic Curie-Weiss behaviour and a magnetic moment of 1.93μB per Cu2+. Thermoanalytical investigations in air show that the complex is stable up to 135°C. Following decomposition processes yielding CuO.

scholarly journals Crystal structure of the new hybrid material bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate

2015 ◽  
Vol 71 (11) ◽  
pp. 1384-1387
Author(s):  
Marwen Chouri ◽  
Habib Boughzala
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Molar Ratio ◽  
Water Molecules ◽  
Site Symmetry ◽  
Two Dimensional ◽  
Slow Evaporation ◽  
Solution Ph

The title compound bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridobismuthate(III)] dihydrate, (C6H14N2)2[Bi2Cl10]·2H2O, was obtained by slow evaporation at room temperature of a hydrochloric aqueous solution (pH = 1) containing bismuth(III) nitrate and 1,4-diazabicyclo[2.2.2]octane (DABCO) in a 1:2 molar ratio. The structure displays a two-dimensional arrangement parallel to (100) of isolated [Bi2Cl10]4−bioctahedra (site symmetry -1) separated by layers of organic 1,4-diazoniabicyclo[2.2.2]octane dications [(DABCOH2)2+] and water molecules. O—H...Cl, N—H...O and N—H...Cl hydrogen bonds lead to additional cohesion of the structure.

scholarly journals Crystal structure ofcatena-poly[[[tetraaquairon(II)]-trans-μ-1,2-bis(pyridin-4-yl)ethene-κ2N:N′] bis(p-toluenesulfonate) methanol disolvate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1977-1980
Author(s):  
Volodymyr M. Hiiuk ◽  
Diana D. Barakhty ◽  
Sergiu Shova ◽  
Ruslan A. Polunin ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Polymeric Complex ◽  
Distorted Octahedral ◽  
Polymeric Chains ◽  
Coordinated Water

In the title polymeric complex, {[Fe(C12H10N2)2(H2O)4](CH3C6H4SO3)2·2CH3OH}n, the FeIIcation, located on an inversion centre, is coordinated by four water molecules in the equatorial positions and two 1,2-bis(pyridin-4-yl)ethene molecules in the axial positions. This results in a distorted octahedral geometry for the [N2O4] coordination polyhedron. The 1,2-bis(pyridin-4-yl)ethene molecules bridge the FeIIcations, forming polymeric chains running along thea-axis direction. Stabilization of the crystal structure is provided by O—H...O hydrogen bonds; these are formed by coordinated water molecules as donors towards the O atoms of the methanol molecules and tosylate anions as acceptors of protons, leading to the formation of a three-dimensional supramolecular network. Weak C—H...O hydrogen bonds are also observed in the crystal.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)

2017 ◽  
Vol 73 (9) ◽  
pp. 1302-1304 ◽  
Author(s):  
Hicham El Hamdani ◽  
Mohammed El Amane ◽  
Carine Duhayon
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Distorted Octahedral Coordination Environment

The title complex, [Co(C7H7N4O2)2(H2O)4], comprises mononuclear molecules consisting of a CoIIion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water molecules. The CoIIatom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of twotrans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

A novel one-dimensional CoIIcoordination polymer:catena-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′] [[triaqua(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′]]

2012 ◽  
Vol 68 (9) ◽  
pp. m265-m268 ◽  
Author(s):  
Kai-Long Zhong ◽  
Ming-Yi Qian
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Sulfate Ion ◽  
Sulfate Ions ◽  
One Dimensional ◽  
The Third ◽  
Hydrogen Bonding Interactions

The title compound, {[Co(H2O)6][Co(SO4)(C10H8N2)(H2O)3][Co(SO4)2(C10H8N2)(H2O)2]}n, contains three crystallographically unique CoIIcentres, all of which are in six-coordinated environments. One CoIIcentre is coordinated by two bridging 4,4′-bipyridine (4,4′-bipy) ligands, one sulfate ion and three aqua ligands. The second CoIIcentre is surrounded by two N atoms of two 4,4′-bipy ligands and four O atoms,i.e.two O atoms from two monodentate sulfate ions and two from water molecules. The third CoIIcentre forms part of a hexaaquacobalt(II) ion. In the crystal structure, there are two different one-dimensional chains, one being anionic and the other neutral, and adjacent chains are arranged in a cross-like fashion around the mid-point of the 4,4′-bipy ligands. The structure features O—H...O hydrogen-bonding interactions between sulfate anions and water molecules, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of poly[[di-μ3-acetato-tetraaquabis(μ2-cyclohexane-1,4-dicarboxylato)dilanthanum(III)] dihydrate]

2017 ◽  
Vol 73 (12) ◽  
pp. 1926-1930
Author(s):  
R. Drisya ◽  
U. S. Soumya Mol ◽  
P. R. Satheesh Chandran ◽  
M. Sithambaresan ◽  
M. R. Sudarsankumar
Keyword(s):  
Crystal Structure ◽  
Coordination Mode ◽  
Three Dimensional ◽  
Raw Material ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Formula Unit ◽  
Remarkable Feature ◽  
Two Component ◽  
Coordinated Water

The title compound, {[La2(CH3COO)2(C8H10O4)2(H2O)4]·2H2O}nor [La2(ac)2(e,a-cis-1,4-chdc)2(H2O)4]·2H2O, whereacis acetate and 1,4-chdc is cyclohexane-1,4-dicarboxylate anion, is a binuclear lanthanum(III) complex. Each metal atom is decacoordinated by four O atoms from two distinct 1,4-chdc2−ligands, four O atoms from three acetate groups and two O atoms from coordinated water molecules to form a distorted bicapped square-antiprismatic geometry. Two non-coordinated water molecules are also present in the formula unit. The most remarkable feature of this compound is that it possesses a onlycisconformation for cyclohexane-1,4-dicarboxylic acid, although the raw material consists of a mixture ofcisandtransisomers. The μ3-η2:η2coordination mode of the bridging acetate group and the flexible dicarboxylate fragments of 1,4-chdc2−results in the formation of infinite two-dimensional lanthanide–carboxylate layers within the crystal structure. The directionality of strong intermolecular O—H...O and weak C—H...O interactions provides robustness to the layers, which leads to the construction of a three-dimensional supramolecular network. The crystal studied was refined as a two-component twin.

Crystal Structures of Piperazinium Tetrabromocadmate(II)-Monohydrate [C4H12N2]CdBr4 · H2O, PiperaziniumTetraiodocadmate(II) [C4H12N2]CdI4, and Bis(trimethylsulphonium) Tetrabromocadmate(II) [(CH3)3S]2CdBr4

2002 ◽  
Vol 57 (5) ◽  
pp. 503-508 ◽  
Author(s):  
Hideta Ishihara ◽  
Keizo Horiuchi ◽  
Thorsten M. Gesing ◽  
Shi-qi Dou ◽  
J.-Christian Buhl ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Room Temperature ◽  
Water Molecules ◽  
Temperature Phase

Piperazinium tetrabromocadmate(II)-monohydrate, [C4H12N2]CdBr4 · H2O (1) crystallizes with isolated [CdBr4]2- anions, piperazinium cations, and water molecules (monoclinic, P21/c, Z = 4, a = 698.7(1), b = 1348.6(3), and c = 1432.4(3) pm, β = 92.97(3)˚ at 293 K). The crystal structure of 1 is almost the same as that reported in Inorg. Chim. Acta 187, 141 (1991). The crystal of piperazinium tetraiodocadmate(II), [C4H14N2]CdI4 (2) consists of isolated [CdI4]2- anions and piperazinium cations (orthorhombic,P212121, Z=4, a = 903.2(5), b = 1226.3(6), and c = 1307.9(7) pm at 293 K). The room temperature phase of bis(trimethylsulphonium) tetrabromocadmate( II), [(CH3)3S]2CdBr4 (3) has isolated [CdBr4]2- anions and trimethylsulphonium cations (orthorhombic, P212121, Z = 4, a = 911.3(1), b = 1329.2(2), and c = 1454.7(2) pm at 293 K).

scholarly journals Hydrogen Bond Studies. 125. A Deuteron Magnetic Resonance Study of Strontium Formate Dihydrate, Sr(HCOO)2 · 2D2O

1977 ◽  
Vol 32 (9) ◽  
pp. 1025-1029 ◽  
Author(s):  
Bo Berglund ◽  
Jörgen Tegenfeldt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Magnetic Resonance ◽  
Electric Field Gradient ◽  
Room Temperature ◽  
Coupling Constants ◽  
Water Molecules ◽  
Magnetic Resonance Study ◽  
Quadrupole Coupling ◽  
Asymmetry Parameters

AbstractA room temperature (25 °C) deuteron magnetic resonance (DMR) study of a single crystal of Sr (HCOO)2 · 2 D2O is reported. Signals from all water molecules in the unit cell have been detected, and all four independent electric field gradient (EFG) tensors at the water deuterons have been determined from 409 quadrupole splittings. All spectra were recorded by rotating the crystal about one arbitrarily selected axis. The following quadrupole coupling constants and asymmetry parameters for the deuterons were obtained: 213.5(4), 189.3(4), 195.7(4) and 200.7(5) kHz and 0.117(3), 0.110(4), 0.116(4) and 0.098(3). The directions of the eigenvalues are qualitatively consistent with the crystal structure refined by Galigné 1; the result is in disagreement, however, with the earlier DMR study of Sr (DCOO)2 · 2 D2O (Reference 2).

scholarly journals Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate

2015 ◽  
Vol 71 (12) ◽  
pp. m244-m245 ◽  
Author(s):  
Tatiana R. Amarante ◽  
Isabel S. Gonçalves ◽  
Filipe A. Almeida Paz
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Three Dimensional ◽  
Site Occupancy ◽  
Temperature Data ◽  
Water Molecules ◽  
Compound C ◽  
Metal Atoms ◽  
Anisotropic Displacement Parameters ◽  
Difference Fourier

The title compound, (C5H9N2)4[Mo8O26]·4H2O, was reported previously from a room-temperature data collection from which only the metal atoms could be refined anisotropically [FitzRoyet al.(1989).Inorg. Chim. Acta,157, 187–194]. The current redetermination at 180 (2) K models all the non-H atoms with anisotropic displacement parameters and fully describes the supramolecular N—H...O and O—H...O hydrogen-bonded network connecting the 3,5-dimethylpyrazolium cations, the water molecules of crystallization and the β-octamolybdate anion. All H atoms involved in the three-dimensional hydrogen-bonding network could be located from difference Fourier maps, with the exception of those of one disordered water molecule, firstly seen in this structural report [refined over two distinct locations with site-occupancy factors of 0.65 (2) and 0.35 (2)]. The complete β-octamolybdate anion is generated by a crystallographic inversion centre.

scholarly journals (NH4)Mg(HSO4)(SO4)(H2O)2 and NaSc(CrO4)2(H2O)2, two crystal structures comprising kröhnkite-type chains, and the temperature-induced phase transition (NH4)Mg(HSO4)(SO4)(H2O)2\rightleftharpoons (NH4)MgH(SO4)2(H2O)2

2021 ◽  
Vol 77 (3) ◽  
pp. 144-151
Author(s):  
Matthias Weil ◽  
Uwe Kolitsch
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Room Temperature ◽  
Classification Scheme ◽  
Three Dimensional ◽  
Structure Type ◽  
Group Symmetry ◽  
Water Molecules

The crystal structure of the mineral kröhnkite, Na2Cu(SO4)2(H2O)2, contains infinite chains composed of [CuO4(OH2)2] octahedra corner-linked with SO4 tetrahedra. Such or similar tetrahedral–octahedral `kröhnkite-type' chains are present in the crystal structures of numerous compounds with the composition AnM(XO4)2(H2O)2. The title compounds, (NH4)Mg(HSO4)(SO4)(H2O)2, ammonium magnesium hydrogen sulfate sulfate dihydrate, and NaSc(CrO4)2(H2O)2, sodium scandium bis(chromate) dihydrate, are members of the large family with such kröhnkite-type chains. At 100 K, (NH4)Mg(HSO4)(SO4)(H2O)2 has an unprecedented triclinic crystal structure and contains [MgO4(OH2)2] octahedra linked by SO3(OH) and SO4 tetrahedra into chains extending parallel to [\overline{1}10]. Adjacent chains are linked by very strong hydrogen bonds between SO3(OH) and SO4 tetrahedra into layers parallel to (111). Ammonium cations and water molecules connect adjacent layers through hydrogen-bonding interactions of medium-to-weak strength into a three-dimensional network. (NH4)Mg(HSO4)(SO4)(H2O)2 shows a reversible phase transition and crystallizes at room temperature in structure type E in the classification scheme for structures with kröhnkite-type chains, with half of the unit-cell volume for the resulting triclinic cell, and with disordered H atoms of the ammonium tetrahedron and the H atom between two symmetry-related sulfate groups. IR spectroscopic room-temperature data for the latter phase are provided. Monoclinic NaSc(CrO4)2(H2O)2 adopts structure type F1 in the classification scheme for structures with kröhnkite-type chains. Here, [ScO4(OH2)2] octahedra (point group symmetry \overline{1}) are linked by CrO4 tetrahedra into chains parallel to [010]. The Na+ cations (site symmetry 2) have a [6 + 2] coordination and connect adjacent chains into a three-dimensional framework that is consolidated by medium–strong hydrogen bonds involving the water molecules. Quantitative structural comparisons are made between NaSc(CrO4)2(H2O)2 and its isotypic NaM(CrO4)2(H2O)2 (M = Al and Fe) analogues.

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