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 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 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 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 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 tetrawickmanite, Mn2+Sn4+(OH)6

2015 ◽  
Vol 71 (2) ◽  
pp. 234-237 ◽  
Author(s):  
Barbara Lafuente ◽  
Hexiong Yang ◽  
Robert T. Downs
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Point Group ◽  
The Other ◽  
Group Symmetry ◽  
Tetragonal Symmetry ◽  
Point Group Symmetry ◽  
Natural Sample ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of tetrawickmanite, ideally Mn2+Sn4+(OH)6[manganese(II) tin(IV) hexahydroxide], has been determined based on single-crystal X-ray diffraction data collected from a natural sample from Långban, Sweden. Tetrawickmanite belongs to the octahedral-framework group of hydroxide-perovskite minerals, described by the general formulaBB'(OH)6with a perovskite derivative structure. The structure differs from that of anABO3perovskite in that theAsite is empty while each O atom is bonded to an H atom. The perovskiteB-type cations split into orderedBandB′ sites, which are occupied by Mn2+and Sn4+, respectively. Tetrawickmanite exhibits tetragonal symmetry and is topologically similar to its cubic polymorph, wickmanite. The tetrawickmanite structure is characterized by a framework of alternating corner-linked [Mn2+(OH)6] and [Sn4+(OH)6] octahedra, both with point-group symmetry -1. Four of the five distinct H atoms in the structure are statistically disordered. The vacantAsite is in a cavity in the centre of a distorted cube formed by eight octahedra at the corners. However, the hydrogen-atom positions and their hydrogen bonds are not equivalent in every cavity, resulting in two distinct environments. One of the cavities contains a ring of four hydrogen bonds, similar to that found in wickmanite, while the other cavity is more distorted and forms crankshaft-type chains of hydrogen bonds, as previously proposed for tetragonal stottite, Fe2+Ge4+(OH)6.

scholarly journals Crystal structure of di-μ-iodido-bis{[bis(piperidin-1-yl)methane-κ2N,N′]copper(I)}

2015 ◽  
Vol 71 (11) ◽  
pp. m193-m194
Author(s):  
Eva Rebecca Barth ◽  
Christopher Golz ◽  
Carsten Strohmann
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Iodine Atom ◽  
Chelate Ring ◽  
Point Group ◽  
Membered Ring ◽  
Group Symmetry ◽  
Mirror Plane ◽  
Point Group Symmetry ◽  
Asymmetric Unit

The title compound, [Cu2I2(C11H22N2)2], crystallizes as a symmetric dimer with one quarter of the molecule in the asymmetric unit. The copper(I) atom, the iodine atom and the central methylene C atom of the di(piperidin-1-yl)methane ligand lie on a mirror plane and the complete molecule exhibits point group symmetry 2/m. To the best of our knowledge it is the first diamine copper(I) complex containing a four-membered chelate ring. Compared to other diamine copper(I) iodide dimers, the title compound has a short Cu...Cu distance of 2.5137 (11) Å, but a long Cu—N bond length of 2.213 (3) Å. The I—Cu—I angle [121.84 (2)°] is large, and the N—Cu—N angle = 66.61 (13)° is the smallest one found for copper(I) diamine complexes. As a result of the four-membered ring, the ligands around the copper(I) atom have an extremely distorted tetrahedral arrangement. In the crystal, there are no significant intermolecular interactions present.

scholarly journals Synthesis, structure determination and characterization by UV–Vis and IR spectroscopy of bis(diisopropylammonium) cis-dichloridobis(oxalato-κ2 O 1,O 2)stannate(IV)

2019 ◽  
Vol 75 (6) ◽  
pp. 742-745
Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Cheikh Abdoul Khadir Diop ◽  
Mamadou Sidibe ◽  
Yoann Rousselin
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Point Group ◽  
Chain Structure ◽  
Chloride Ions ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Chloride Dihydrate ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral

The organic–inorganic title salt, (C6H16N)2[Sn(C2O4)2Cl2] or ( i Pr2NH2)2[Sn(C2O4)2Cl2], was obtained by reacting bis(diisopropylammonium) oxalate with tin(IV) chloride dihydrate in methanol. The SnIV atom is coordinated by two chelating oxalate ligands and two chloride ions in cis positions, giving rise to an [Sn(C2O4)2Cl2]2− anion (point group symmetry 2), with the SnIV atom in a slightly distorted octahedral coordination. The cohesion of the crystal structure is ensured by the formation of N—H...O hydrogen bonding between (iPr2NH2)+ cations and [SnCl2(C2O4)2]2− anions. This gives rise to an infinite chain structure extending parallel to [101]. The main inter-chain interactions are van der Waals forces. The electronic spectrum of the title compound displays only one high intensity band in the UV region assignable to ligand–metal ion charge-transfer (LMCT) transitions. An IR spectrum was also recorded and is discussed.

scholarly journals [Bis(pyridin-2-ylmethyl)amine-κ3 N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m741-m742
Author(s):  
Marietjie Schutte ◽  
Theunis J. Muller ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion ◽  
Amine Ligand

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)amine ligand in a distorted octahedral environment. N—H...Br, O—H...Br, C—H...O and C—H...Br hydrogen bonds are present in the crystal structure and π–π stacking is also observed [centroid–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.

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.

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