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 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 tetraaquabis(8-chloro-9,10-dioxo-9,10-dihydroanthracene-1-carboxylato-κO1)cobalt(II) dihydrate

2014 ◽  
Vol 70 (10) ◽  
pp. m357-m358
Author(s):  
Wen-Juan Cai ◽  
Bo Liu ◽  
Feng-Yi Liu ◽  
Jun-Feng Kou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Organic Ligands ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Π Interactions ◽  
Carboxylate Anions

In the title complex, [Co(C15H6ClO4)2(H2O)4]·2H2O, the CoIIion is bound by two carboxylate O atoms of two 5-chloro-9,10-anthraquinone-1-carboxylate anions and four water O atoms in atransconformation, forming an irregular octahedral coordination geometry. This arrangement is stabilized by intramolecular O—H...O hydrogen bonds between water and carboxylate. Further O—H...O hydrogen bonds between coordinating and non-coordinating water and carboxylate produce layers of molecules that extend parallel to (001). The organic ligands project above and below the plane. Those ligands of adjacent planes are interdigitated and there are π–π interactions between them with centroid–centroid distances of 3.552 (2) and 3.767 (2) Å that generate a three-dimensional supramolecular structure.

scholarly journals A [Cu3(μ3-O)]–pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3

2016 ◽  
Vol 72 (4) ◽  
pp. 492-494 ◽  
Author(s):  
Logesh Mathivathanan ◽  
Raquel Cruz ◽  
Raphael G. Raptis
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Title Compound ◽  
Complex Anion ◽  
Rotation Axis ◽  
Point Group ◽  
Group Symmetry ◽  
Nitrate Anion ◽  
Point Group Symmetry ◽  
Π Interactions

The trinuclear triangular cuprate anion of the title compound, tris[bis(triphenylphosphoranylidene)ammonium] tris(μ2-4-chloropyrazolato-κ2N:N′)-μ3-oxido-tris[(nitrato-κ2O,O′)cuprate(II)] nitrate monohydrate, (C36H30P2N)[Cu3(C3H2ClN2)3(NO3)3O]NO3·H2O, has point group symmetry 3., with the μ3-O atom located on the threefold rotation axis. The distorted square-pyramidal coordination sphere of the CuIIatom is completed by two N atoms oftrans-bridging pyrazolate groups and a chelating nitrate anion. The complex anion is slightly bent, with the nitrate and pyrazolate groups occupying positions above and below the Cu3plane, respectively. In the crystal, weak O—H...O and C—H...O hydrogen bonds, as well as π–π interactions, are present.

scholarly journals Crystal structure of [Co(NH3)6][Co(CO)4]2

2015 ◽  
Vol 71 (11) ◽  
pp. 1418-1420 ◽  
Author(s):  
Thomas G. Müller ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Hydrogen Bonds ◽  
Liquid Ammonia ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Distorted Tetrahedron ◽  
Carbonyl Ligands ◽  
Set Up

Hexaamminecobalt(II) bis[tetracarbonylcobaltate(-I)], [Co(NH3)6][Co(CO)4]2, was synthesized by reaction of liquid ammonia with Co2(CO)8. The CoIIatom is coordinated by six ammine ligands. The resulting polyhedron, the hexaamminecobalt(II) cation, exhibits point group symmetry -3. The Co-Iatom is coordinated by four carbonyl ligands, leading to a tetracarbonylcobaltate(−I) anion in the shape of a slightly distorted tetrahedron, with point group symmetry 3. The crystal structure is related to that of high-pressure BaC2(space groupR-3m), with the [Co(NH3)6]2+cations replacing the Ba sites and the [Co(CO)4]−anions replacing the C sites. N—H...O hydrogen bonds between cations and anions stabilize the structural set-up in the title compound.

scholarly journals Crystal structure ofO-benzyl-L-tyrosineN-carboxy anhydride

2017 ◽  
Vol 73 (4) ◽  
pp. 553-555
Author(s):  
Aya Inada ◽  
Hitoshi Kanazawa
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C

In the title compound, C17H15NO4(alternative name;O-benzyl-L-tyrosineN-carboxy anhydride), the oxazolidine ring is planer, with an r.m.s. deviation of 0.039 Å. The benzyloxy and benzyl rings are almost coplanar, making a dihedral angle of 0.078 (10)°, and are inclined to the oxazolidine ring by 59.16 (11) and 58.42 (11)°, respectively. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming ribbons propagating along [010]. The ribbons are linked by C—H...π interactions, forming a three-dimensional supramolecular structure. The oxazolidine rings of adjacent ribbons are arranged into a layer parallel to theabplane. This arrangement is favourable for the polymerization of the compound in the solid state.

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 ruthenocenecarbonitrile

2015 ◽  
Vol 71 (4) ◽  
pp. 398-401 ◽  
Author(s):  
Frank Strehler ◽  
Marcus Korb ◽  
Heinrich Lang
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carbon Atom ◽  
Triple Bond ◽  
Point Group ◽  
Group Symmetry ◽  
Mirror Plane ◽  
Point Group Symmetry ◽  
One Dimensional ◽  
Π Interactions

The molecular structure of ruthenocenecarbonitrile, [Ru(η5-C5H4C[triple-bond]N)(η5-C5H5)], exhibits point group symmetrym, with the mirror plane bisecting the molecule through the C[triple-bond]N substituent. The RuIIatom is slightly shifted from the η5-C5H4centroid towards the C[triple-bond]N substituent. In the crystal, molecules are arranged in columns parallel to [100]. One-dimensional intermolecular π–π interactions [3.363 (3) Å] between the C[triple-bond]N carbon atom and one carbon of the cyclopentadienyl ring of the overlaying molecule are present.

scholarly journals Crystal structure ofcyclo-bis(μ4-2,2-diallylmalonato-κ6O1,O3:O3:O1′,O3′:O1′)tetrakis(triphenylphosphane-κP)tetrasilver(I)

2014 ◽  
Vol 70 (10) ◽  
pp. 174-177 ◽  
Author(s):  
Peter Frenzel ◽  
Alexander Jakob ◽  
Dieter Schaarschmidt ◽  
Tobias Rüffer ◽  
Heinrich Lang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Core Point ◽  
Tetrahedral Environment ◽  
Silver Core

In the tetranuclear molecule of the title compound, [Ag4(C9H10O4)2(C18H15P)4], the AgIion is coordinated by one P and three O atoms in a considerably distorted tetrahedral environment. The two 2,2-diallylmalonate anions bridge four AgIions in a μ4-(κ6O1,O3:O3:O1′,O3′:O1′) mode, setting up an Ag4O8P4core (point group symmetry -4..) of corner-sharing tetrahedra. The shortest intramolecular Ag...Ag distance of 3.9510 (3) Å reveals that no directd10...d10interactions are present. Four weak intramolecular C—H...O hydrogen bonds are observed in the crystal structure of the title compound, which most likely stabilize the tetranuclear silver core.

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.

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