scholarly journals Redetermination of [EuCl2(H2O)6]Cl

2014 ◽  
Vol 70 (6) ◽  
pp. i27-i27 ◽  
Author(s):  
Frank Tambornino ◽  
Philipp Bielec ◽  
Constantin Hoch
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Building Blocks ◽  
Structure Type ◽  
Chloride Anion ◽  
The Other ◽  
Water Molecules ◽  
Atomic Coordinates ◽  
The Eu

The crystal structure of the title compound, hexaaquadichloridoeuropium(III) chloride, was redetermined with modern crystallographic methods. In comparison with the previous study [Lepertet al.(1983).Aust. J. Chem.36, 477–482], it could be shown that the atomic coordinates of some O atoms had been confused and now were corrected. Moreover, it was possible to freely refine the positions of the H atoms and thus to improve the accurracy of the crystal structure. [EuCl2(H2O)6]Cl crystallizes with the GdCl3·6H2O structure-type, exhibiting discrete [EuCl2(H2O)6]+cations as the main building blocks. The main blocks are linked with isolated chloride anionsviaO—H...Cl hydrogen bonds into a three-dimensional framework. The Eu3+cation is located on a twofold rotation axis and is coordinated in the form of a Cl2O6square antiprism. One chloride anion coordinates directly to Eu3+, whereas the other chloride anion, situated on a twofold rotation axis, is hydrogen bonded to six octahedrally arranged water molecules.

A new three-dimensional anionic cadmium(II) dicyanamide network

2014 ◽  
Vol 70 (11) ◽  
pp. 1054-1056 ◽  
Author(s):  
Qiang Li ◽  
Hui-Ting Wang
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Unit Cell Volume ◽  
Three Dimensional ◽  
Building Blocks ◽  
The Other ◽  
Dimensional Structure ◽  
Cadmium Nitrate ◽  
Nitrate Tetrahydrate ◽  
Anionic Framework

A new cadmium dicyanamide complex, poly[tetramethylphosphonium [μ-chlorido-di-μ-dicyanamido-κ4N1:N5-cadmium(II)]], [(CH3)4P][Cd(NCNCN)2Cl], was synthesized by the reaction of tetramethylphosphonium chloride, cadmium nitrate tetrahydrate and sodium dicyanamide in aqueous solution. In the crystal structure, each CdIIatom is octahedrally coordinated by four terminal N atoms from four anionic dicyanamide (dca) ligands and by two chloride ligands. The dicyanamide ligands play two different roles in the building up of the structure; one role results in the formation of [Cd(dca)Cl]2building blocks, while the other links the building blocks into a three-dimensional structure. The anionic framework exhibits a solvent-accessible void of 673.8 Å3, amounting to 47.44% of the total unit-cell volume. The cavities in the network are occupied by pairs of tetramethylphosphonium cations.

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.

Darstellung und Kristallstruktur von K2Sb4S7 · H2O / Preparation and Crystal Structure of K2Sb4S7 · H2O

1979 ◽  
Vol 34 (3) ◽  
pp. 383-385 ◽  
Author(s):  
Brigitte Eisenmann ◽  
Herbert Schäfer
Keyword(s):  
Crystal Structure ◽  
Free Electron ◽  
Electron Pair ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Triclinic System ◽  
Dimensional Network ◽  
Free Electron Pair

Abstract K2Sb4S7 · H2O crystallizes in the triclinic system with a = 1171.4(5) pm, b = 952.0(5) pm, c = 715.6(5) pm and α = 99.36(5)°, β = 86.80(5)°, γ= 103.48(5)°. One half of the Sb atoms has three sulfur neighbours forming with the free electron pair a ψ-ShS3 tetrahedron, while the other half is coordinated by four S atoms to build a ψ-trigonal SbS4 bipyramid. These polyhedra are connected by common edges and corners to a three-dimensional network with two types of channels, in which either K+ ions only or K+ ions and water molecules are located.

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.

scholarly journals Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: an anti-HIV agent

2014 ◽  
Vol 70 (11) ◽  
pp. 396-399
Author(s):  
Maxim V. Jasko ◽  
Galina V. Gurskaya ◽  
Marina K. Kukhanova ◽  
Ivan S. Bushmarinov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Asymmetric Unit ◽  
Anti Hiv

The asymmetric unit of the title compound, NH4+·C11H14N6O7P−·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP–AZT) anion, half of an NH4+cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4+cation and a water molecule. The amide group of the ACP–AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N—H...O (involving C=O...H4N+) hydrogen bond and the other an O—H...N (involving C—NH2...OH2) hydrogen bond with the components of the split NH4+/H2O position. The pseudorotation parameters of ACP–AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N—H...O, O—H...O, N—H...N, C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework.

scholarly journals Sodium selenite pentahydrate, Na2SeO3·5H2O

2013 ◽  
Vol 69 (11) ◽  
pp. i77-i78 ◽  
Author(s):  
Kurt Mereiter
Keyword(s):  
Crystal Structure ◽  
Sodium Selenite ◽  
Crystal Packing ◽  
Rotation Axis ◽  
The Other ◽  
Octahedral Coordination ◽  
Mirror Plane ◽  
Water Molecules ◽  
Trigonal Bipyramidal ◽  
Distorted Trigonal Bipyramidal

In the crystal structure of Na2SeO3·5H2O [disodium selenate(IV) pentahydrate], two Se, two selenite O atoms and one water O atom are located on a mirror plane, and one water O atom is located on a twofold rotation axis. The coordination of one Na+cation is distorted trigonal bipyramidal, formed by three equatorial H2O ligands and two axial selenite O atoms. The other Na+cation has an octahedral coordination by six water molecules. The two independent SeO3groups form almost undistorted trigonal pyramids, with Se—O bond lengths in the range 1.6856 (7)–1.7202 (10) Å and O—Se—O angles in the range 101.98 (3)–103.11 (5)°, and both are μ2-O:O-bonded to a pair of Na+cations. Hydrogen bonds involving all water molecules and selenite O atoms consolidate the crystal packing. Although anhydrous Na2SeO3and Na2TeO3are isotypic, the title compound is surprisingly not isotypic with Na2TeO3·5H2O. In the tellurite hydrate, all Na+cations have an octahedral coordination and the TeO3groups are bonded to Na+onlyviaone of their three O atoms.

scholarly journals Poly[tetraaquabis(μ4-thiophene-2,5-dicarboxylato)(μ2-thiophene-2,5-dicarboxylato)dieuropium(III)]

2012 ◽  
Vol 68 (8) ◽  
pp. m1024-m1024 ◽  
Author(s):  
Xi-Gang Du ◽  
Jun Zhang ◽  
Jia-Jia Li
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions ◽  
The Eu

The three-dimensional coordination polymer, [Eu2(C6H2O4S)3(H2O)4]n, has been synthesized under hydrothermal conditions. The asymmetric unit comprises one Eu3+cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions (the half-anion being completed by a twofold rotation axis). The Eu3+cation is eight-coordinated in a distorted dodecahedral geometry. The crystal structure features O—H...O hydrogen bonds.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

scholarly journals The crystal structure of (C2H9N2)2[Zn3(HPO3)4], a three-dimensional zincophosphite framework containing 16-membered rings templated by the unsymmetrical dimethyl hydrazinium cation

2017 ◽  
Vol 73 (5) ◽  
pp. 759-762 ◽  
Author(s):  
Judita Katinaitė ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Reciprocal Space ◽  
The Other ◽  
Organic Cations ◽  
Zinc Ions ◽  
Synthesis And Crystal Structure ◽  
Hydrazinium Cation

The solution-mediated synthesis and crystal structure of 1,1-dimethylhydrazinium tetraphoshonoatotrizincate, (C2H9N2)2[Zn3(HPO3)4], are described. The anionic [Zn3(HPO3)4]2−framework is built up from alternating ZnO4tetrahedra and HPO3pseudo-pyramids to generate a three-dimensional 4,3-net encapsulating the C2H9N2+cations. The organic cations, which are protonated at their central N atoms, occupy pores delineated by large 16-membered polyhedral rings and interact with the framework by way of N—H...O hydrogen bonds and possible C—H...O interactions. One of the zinc ions lies on a crystallographic twofold rotation axis and all the other atoms lie on general positions. The crystal studied was found to be rotationally twinned about the [001] axis in reciprocal space in a 0.585 (5):0.415 (5) ratio.

scholarly journals Poly[[diaquadeca-μ2-cyanido-κ20C:N-hexacyanido-κ6C-bis(μ2-5-methylpyrimidine-κ2N:N′)bis(5-methylpyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (2) ◽  
pp. m47-m48
Author(s):  
Yoshihide Tsunobuchi ◽  
Souhei Kaneko ◽  
Koji Nakabayashi ◽  
Shin-ichi Ohkoshi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Three Dimensional ◽  
Title Complex ◽  
Trigonal Prism ◽  
The Other ◽  
Water Molecules ◽  
The Third ◽  
Dimensional Network

In the title complex, {[Cu3[W(CN)8]2(C5H6N2)4(H2O)2]·2H2O}n, the coordination polyhedron of the eight-coordinated WVatom is a bicapped trigonal prism, in which five CN groups are bridged to CuIIions, and the other three CN groups are terminally bound. Two of the CuIIions lie on a centre of inversion and each of the three independent CuIIcations is pseudo-octahedrally coordinated. In the crystal structure, cyanido-bridged-Cu—W—Cu layers are linked by pillars involving the third independent CuIIion, generating a three-dimensional network with non-coordinating water molecules and 5-methylpyrimidine molecules. O—H...O and O—H...N hydrogen bonds involve the coordinating and non-coordinating water molecules, the CN groups and the 5-methylpyrimidine molecules.

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