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 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 of Sc1.91In1.39Mo15Se19, containing Mo6and Mo9clusters

2015 ◽  
Vol 71 (7) ◽  
pp. 760-762 ◽  
Author(s):  
Patrick Gougeon ◽  
Philippe Gall ◽  
Diala Salloum
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Acta Cryst ◽  
Rotation Axes ◽  
Set Up

The structure of scandium indium pentadecamolybdenum nonadecaselenide, Sc1.91In1.39Mo15Se19, is isotypic with In2.9Mo15Se19[Grüttneret al.(1979).Acta Cryst.B35, 285–292]. It is characterized by two cluster units Mo6Sei8Sea6and Mo9Sei11Sea6(whereirepresents inner andaapical atoms) that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2band 2cand have point-group symmetry -3 and -6, respectively. The clusters are interconnected through additional Mo—Se bonds. Sc—Se and In—Se bonds complete the structural set-up. In the title compound, the Sc3+cations replace the trivalent indium atoms present in In2.9Mo15Se19, and a deficiency is observed at the monovalent indium site. One Mo, one Se and the Sc atom are situated on mirror planes, whereas two other Se atoms and the In atom are situated on threefold rotation axes.

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 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 the Fe-member of usovite

2015 ◽  
Vol 71 (6) ◽  
pp. 640-643 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Title Compound ◽  
Point Group ◽  
Structure Type ◽  
Group Symmetry ◽  
Fe Model ◽  
Point Group Symmetry ◽  
Calcium Iron

Crystals of the title compound, with the idealized composition Ba2CaFeAl2F14, dibarium calcium iron(II) dialuminium tetradecafluoride, were obtained serendipitously by reacting a mixture of the binary fluorides BaF2, CaF2and AlF3in a leaky steel reactor. The compound crystallizes in the usovite structure type (Ba2CaMgAl2F14), with Fe2+cations replacing the Mg2+cations. The principal building units are distorted [CaF8] square-antiprisms (point group symmetry 2), [FeF6] octahedra (point group symmetry -1) and [AlF6] octahedra that are condensed into undulating2∞[CaFeAl2F14]4−layers parallel (100). The Ba2+cations separate the layers and exhibit a coordination number of 12. Two crystal structure models with a different treatment of the disordered Fe site [mixed Fe/Ca occupation, model (I),versusunderoccupation of Fe, model (II)], are discussed, leading to different refined formulae Ba2Ca1.310 (15)Fe0.690 (15)Al2F14[model (I)] and Ba2CaFe0.90 (1)Al2F14[model (II)].

scholarly journals Crystal structure of N,N′-bis(2,4-difluorobenzoyloxy)benzene-1,2:4,5-tetracarboximide

2018 ◽  
Vol 74 (2) ◽  
pp. 225-228
Author(s):  
Sandra Fusco ◽  
Angela Tuzi ◽  
Roberto Centore ◽  
Antonio Carella
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Compound C

Molecules of the title compound, C24H8F4N2O8, have C i point-group symmetry in the crystal, as they lie on crystallographic inversion centres (Z′ = 1/2). The difluorophenyl ring is disordered over two orientations; the final refined occupancy factors of the two components of disorder are 0.947 (4) and 0.053 (4). In the crystal, some Car—H...F interactions are present, which involve the most acidic H atom of the molecule.

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 Crystal structure of [NiHg(SCN)4(CH3OH)2]n

2014 ◽  
Vol 70 (8) ◽  
pp. 48-50 ◽  
Author(s):  
Matthias Weil ◽  
Thomas Häusler
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Point Group ◽  
Three Dimensional ◽  
Group Symmetry ◽  
Gelling Agent ◽  
Point Group Symmetry ◽  
Gel Growth ◽  
Growth Method

The title compound,catena-poly[[bis(methanol-κO)nickel(II)]-di-μ-thiocyanato-κ4N:S-mercurate(II)-di-μ-thiocyanato-κ4N:S], was obtained from a gel-growth method using tetramethoxysilane as gelling agent. The crystal structure is composed of rather regular HgS4tetrahedra (point group symmetry .2.) andtrans-NiN4O2octahedra (point group symmetry 2..) that are linked through thiocyanato bridges into a three-dimensional framework. The methanol molecules coordinateviathe O atom to the Ni2+cations and point into the voids of this arrangement while a weak O—H...S hydrogen bond to an adjacent S atom stabilizes it.

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