scholarly journals Crystal structure of tris(ethylenediammonium) hexasulfatopraseodymium(III) hexahydrate

2014 ◽  
Vol 70 (10) ◽  
pp. 235-237 ◽  
Author(s):  
Peter Held
Keyword(s):  
Crystal Structure ◽  
Water Molecule ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Framework Structure ◽  
Crystal Water ◽  
Medium Strength

In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the PrIIIcation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water molecule [range of Pr—O bond lengths 2.383 (3) to 2.582 (3) Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water molecules and two ethylenediammonium cations (one with point group symmetry -1) connect the sheetsviaO—H...O and N—H...O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

scholarly journals Crystal structure of tin(IV) chloride octahydrate

2014 ◽  
Vol 70 (12) ◽  
pp. 480-482 ◽  
Author(s):  
Erik Hennings ◽  
Horst Schmidt ◽  
Wolfgang Voigt
Keyword(s):  
Crystal Structure ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Complex Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Solid Liquid

The title compound, [SnCl4(H2O)2]·6H2O, was crystallized according to the solid–liquid phase diagram at lower temperatures. It is built-up of SnCl4(H2O)2octahedral units (point group symmetry 2) and lattice water molecules. An intricate three-dimensional network of O—H...O and O—H...Cl hydrogen bonds between the complex molecules and the lattice water molecules is formed in the crystal structure.

scholarly journals Crystal structure of the coordination polymer [FeIII2{PtII(CN)4}3]

2015 ◽  
Vol 71 (1) ◽  
pp. i1-i2
Author(s):  
Maksym Seredyuk ◽  
M. Carmen Muñoz ◽  
José A. Real ◽  
Turganbay S. Iskenderov
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Point Group ◽  
Three Dimensional ◽  
Title Complex ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Rotation Axes ◽  
Square Planar ◽  
Cyanide Ligands

The title complex, poly[dodeca-μ-cyanido-diiron(III)triplatinum(II)], [FeIII2{PtII(CN)4}3], has a three-dimensional polymeric structure. It is built-up from square-planar [PtII(CN)4]2−anions (point group symmetry 2/m) bridging cationic [FeIIIPtII(CN)4]+∞layers extending in thebcplane. The FeIIatoms of the layers are located on inversion centres and exhibit an octahedral coordination sphere defined by six N atoms of cyanide ligands, while the PtIIatoms are located on twofold rotation axes and are surrounded by four C atoms of the cyanide ligands in a square-planar coordination. The geometrical preferences of the two cations for octahedral and square-planar coordination, respectively, lead to a corrugated organisation of the layers. The distance between neighbouring [FeIIIPtII(CN)4]+∞layers corresponds to the lengtha/2 = 8.0070 (3) Å, and the separation between two neighbouring PtIIatoms of the bridging [PtII(CN)4]2−groups corresponds to the length of thecaxis [7.5720 (2) Å]. The structure is porous with accessible voids of 390 Å3per unit cell.

scholarly journals Crystal structure of langbeinite-related Rb0.743K0.845Co0.293Ti1.707(PO4)3

2015 ◽  
Vol 71 (3) ◽  
pp. 251-253 ◽  
Author(s):  
Nataliia Yu. Strutynska ◽  
Marina A. Bondarenko ◽  
Ivan V. Ogorodnyk ◽  
Vyacheslav N. Baumer ◽  
Nikolay S. Slobodyanik
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Point Group ◽  
Three Dimensional ◽  
Type Structure ◽  
Group Symmetry ◽  
Site Symmetry ◽  
Point Group Symmetry ◽  
Crystallization Method ◽  
Temperature Crystallization

Potassium rubidium cobalt(II)/titanium(IV) tris(orthophosphate), Rb0.743K0.845Co0.293Ti1.707(PO4)3, has been obtained using a high-temperature crystallization method. The obtained compound has a langbeinite-type structure. The three-dimensional framework is built up from mixed-occupied (Co/TiIV)O6octahedra (point group symmetry .3.) and PO4tetrahedra. The K+and Rb+cations are statistically distributed over two distinct sites (both with site symmetry .3.) in the large cavities of the framework. They are surrounded by 12 O atoms.

scholarly journals Crystal structure of iron(III) perchlorate nonahydrate

2014 ◽  
Vol 70 (12) ◽  
pp. 477-479 ◽  
Author(s):  
Erik Hennings ◽  
Horst Schmidt ◽  
Wolfgang Voigt
Keyword(s):  
Crystal Structure ◽  
Phase Diagram ◽  
Liquid Phase ◽  
Low Temperatures ◽  
Point Group ◽  
Minor Component ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Solid Liquid

Since the discovery of perchlorate salts on Mars and the known occurrence of ferric salts in the regolith, there is a distinct possibility that the title compound could form on the surface of Mars. [Fe(H2O)6](ClO4)3·3H2O was crystallized from aqueous solutions at low temperatures according to the solid–liquid phase diagram. It consists of Fe(H2O)6octahedra (point group symmetry -3.) and perchlorate anions (point group symmetry .2) as well as non-coordinating water molecules, as part of a second hydrogen-bonded coordination sphere around the cation. The perchlorate appears to be slightly disordered, with major–minor component occupancies of 0.773 (9):0.227 (9).

scholarly journals Crystal structures of Sr(ClO4)2·3H2O, Sr(ClO4)2·4H2O and Sr(ClO4)2·9H2O

2014 ◽  
Vol 70 (12) ◽  
pp. 510-514 ◽  
Author(s):  
Erik Hennings ◽  
Horst Schmidt ◽  
Wolfgang Voigt
Keyword(s):  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Tricapped Trigonal Prism ◽  
Trigonal Prismatic Coordination ◽  
Solid Liquid

The title compounds, strontium perchlorate trihydrate {di-μ-aqua-aquadi-μ-perchlorato-strontium, [Sr(ClO4)2(H2O)3]n}, strontium perchlorate tetrahydrate {di-μ-aqua-bis(triaquadiperchloratostrontium), [Sr2(ClO4)4(H2O)8]} and strontium perchlorate nonahydrate {heptaaquadiperchloratostrontium dihydrate, [Sr(ClO4)2(H2O)7]·2H2O}, were crystallized at low temperatures according to the solid–liquid phase diagram. The structures of the tri- and tetrahydrate consist of Sr2+cations coordinated by five water molecules and four O atoms of four perchlorate tetrahedra in a distorted tricapped trigonal–prismatic coordination mode. The asymmetric unit of the trihydrate contains two formula units. Two [SrO9] polyhedra in the trihydrate are connected by sharing water molecules and thus forming chains parallel to [100]. In the tetrahydrate, dimers of two [SrO9] polyhedra connected by two sharing water molecules are formed. The structure of the nonahydrate contains one Sr2+cation coordinated by seven water molecules and by two O atoms of two perchlorate tetrahedra (point group symmetry ..m), forming a tricapped trigonal prism (point group symmetrym2m). The structure contains additional non-coordinating water molecules, which are located on twofold rotation axes. O—H...O hydrogen bonds between the water molecules as donor and ClO4tetrahedra and water molecules as acceptor groups lead to the formation of a three-dimensional network in each of the three structures.

Refinement of the crystal structure of zirconyl chloride octahydrate

1968 ◽  
Vol 46 (22) ◽  
pp. 3491-3497 ◽  
Author(s):  
Thomas C. W. Mak
Keyword(s):  
Crystal Structure ◽  
Axial Symmetry ◽  
Experimental Error ◽  
Least Squares Method ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Zirconium Atom ◽  
Zirconyl Chloride

The crystal structure of zirconyl chloride octahydrate, ZrOCl2•8H2O, has been refined by the least-squares method with new three-dimensional data. Existence of the [Zr4(OH)8(H2O)16]8+ tetranuclear complex has been confirmed. However, the coordination polyhedron about each zirconium atom differs considerably from the D4d antiprismatic geometry reported previously. It is, in fact, more closely related to the D2d dodecahedron, and has twofold axial symmetry within the limits of experimental error. Mean bond lengths in the [Zr4(OH)8(H2O)16]8+ complex, which approximates closely to D2d point-group symmetry, are: Zr—OH (bridging) = 2.142 ± 0.019 Å and Zr—OH2 (terminal) = 2.272 ± 0.032 Å.

scholarly journals Crystal structure of high-spin tetraaquabis(2-chloropyrazine-κN4)iron(II) bis(4-methylbenzenesulfonate)

2015 ◽  
Vol 71 (7) ◽  
pp. 776-778
Author(s):  
Bohdan O. Golub ◽  
Sergii I. Shylin ◽  
Sebastian Dechert ◽  
Maria L. Malysheva ◽  
Il`ya A. Gural`skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
High Spin ◽  
Supramolecular Structure ◽  
Complex Cation ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Π Interactions

The title salt, [FeII(C4H3ClN2)2(H2O)4](C7H7O3S)2, contains a complex cation with point group symmetry 2/m. The high-spin FeIIcation is hexacoordinated by four symmetry-related water and twoN-bound 2-chloropyrazine molecules in atransarrangement, forming a distorted FeN2O4octahedron. The three-dimensional supramolecular structure is supported by intermolecular O—H...O hydrogen bonds between the complex cations and tosylate anions, and additional π–π interactions between benzene and pyrazine rings. The methyl H atoms of the tosylate anion are equally disordered over two positions.

scholarly journals Aquabis[3,6-bis(pyridin-2-yl)pyridazine-κ2N1,N6]copper(II) bis(trifluoromethanesulfonate)

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
K. Showrilu ◽  
K. Rajarajan ◽  
S. A. Martin Britto Dhas ◽  
S. Athimoolam
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Asymmetric Unit

The title salt, [Cu(C14H10N4)2(H2O)](CF3SO3)2, contains a Cu2+cation coordinated by two bidentate 3,6-bis(pyridin-2-yl)pyridazine ligands and one water molecule. The charge is balanced by two disordered trifluoromethanesulfonate anions. The asymmetric unit contains half of a cation (point group symmetry 2) and one anion. The coordinating water molecule is engaged in intermolecular O—H...O hydrogen bonds, which connect the cation to the anion. C—H...X(X= N, O, F) interactions stabilize the crystal structure.

scholarly journals Synthesis and crystal structure of bis[μ-N,N-bis(2-aminoethyl)ethane-1,2-diamine]bis[N,N-bis(2-aminoethyl)ethane-1,2-diamine]-μ4-oxido-hexa-μ3-oxido-octa-μ2-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Dana-Céline Krause ◽  
Christian Näther ◽  
Wolfgang Bensch
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Point Group ◽  
Organic Ligand ◽  
Group Symmetry ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Crystal Water ◽  
Synthesis And Crystal Structure ◽  
X Ray

Reaction of K8{Ta6O19}·16H2O with [Ni(tren)(H2O)Cl]Cl·H2O in different solvents led to the formation of single crystals of the title compound, [Ni4Ta6O19(C6H18N4)4]·19H2O or {[Ni2(κ4-tren)(μ-κ3-tren)]2Ta6O19}·19H2O (tren is N,N-bis(2-aminoethyl)-1,2-ethanediamine, C6H18N4). In its crystal structure, one Lindqvist-type anion {Ta6O19}8– (point group symmetry \overline{1}) is connected to two NiII cations, with both of them coordinated by one tren ligand into discrete units. Both NiII cations are sixfold coordinated by O atoms of the anion and N atoms of the organic ligand, resulting in slightly distorted [NiON5] octahedra for one and [NiO3N3] octahedra for the other cation. These clusters are linked by intermolecular O—H...O and N—H...O hydrogen bonding involving water molecules into layers parallel to the bc plane. Some of these water molecules are positionally disordered and were refined using a split model. Powder X-ray diffraction revealed that a pure crystalline phase was obtained but that on storage at room-temperature this compound decomposed because of the loss of crystal water molecules.

scholarly journals Crystal structure of K0.75[FeII3.75FeIII1.25(HPO3)6]·0.5H2O, an open-framework iron phosphite with mixed-valent FeII/FeIIIions

2016 ◽  
Vol 72 (1) ◽  
pp. 63-65 ◽  
Author(s):  
Edurne S. Larrea ◽  
José Luis Mesa ◽  
Estibaliz Legarra ◽  
Andrés Tomás Aguayo ◽  
Maria Isabel Arriortua
Keyword(s):  
Crystal Structure ◽  
Point Group ◽  
Group Symmetry ◽  
Water Molecules ◽  
Point Group Symmetry ◽  
Hydrothermal Conditions ◽  
Open Framework ◽  
Hydrogen Bonding Interactions ◽  
Vibrational Bands ◽  
Anionic Framework

Single crystals of the title compound, potassium hexaphosphitopentaferrate(II,III) hemihydrate, K0.75[FeII3.75FeIII1.25(HPO3)6]·0.5H2O, were grown under mild hydrothermal conditions. The crystal structure is isotypic with Li1.43[FeII4.43FeIII0.57(HPO3)6]·1.5H2O and (NH4)2[FeII5(HPO3)6] and exhibits a [FeII3.75FeIII1.25(HPO3)6]0.75−open framework with disordered K+(occupancy 3/4) as counter-cations. The anionic framework is based on (001) sheets of two [FeO6] octahedra (one with point group symmetry 3.. and one with point group symmetry .2.) linked along [001] through [HPO3]2−oxoanions. Each sheet is constructed from 12-membered rings of edge-sharing [FeO6] octahedra, giving rise to channels with a radius ofca3.1 Å where the K+cations and likewise disordered water molecules (occupancy 1/4) are located. O...O contacts between the water molecule and framework O atoms of 2.864 (5) Å indicate hydrogen-bonding interactions of medium strength. The infrared spectrum of the compound shows vibrational bands typical for phosphite and water groups. The Mössbauer spectrum is in accordance with the presence of FeIIand FeIIIions.

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