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.

Ho0.76In1.68Mo15Se19

2006 ◽  
Vol 62 (4) ◽  
pp. i83-i85 ◽  
Author(s):  
D. Salloum ◽  
P. Gougeon ◽  
M. Potel
Keyword(s):  
Title Compound ◽  
Point Group ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Acta Cryst ◽  
Molybdenum Selenide

The structure of holmium indium molybdenum selenide, Ho0.76In1.68Mo15Se19, isotypic with In2.9Mo15Se19 [Grüttner, Yvon, Chevrel, Potel, Sergent & Seeber (1979). Acta Cryst. B35, 285–292], is characterized by two cluster units Mo6Se i 8Se a 6 and Mo9Se i 11Se a 6 (where i = inner and a = apical) that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry \overline{3} and \overline{6}, respectively. The clusters are interconnected through additional Mo—Se bonds. In the title compound, Ho3+ cations replace the trivalent indium observed in In2.9Mo15Se19, and a deficiency is observed on the monovalent indium site.

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 [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 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 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 Na4.25Mo15S19: a novel ternary reduced molybdenum sulfide containing Mo6and Mo9clusters

2014 ◽  
Vol 70 (6) ◽  
pp. i30-i30 ◽  
Author(s):  
D. Salloum ◽  
P. Gougeon ◽  
P. Gall
Keyword(s):  
Point Group ◽  
Site Occupancy ◽  
Molybdenum Sulfide ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Acta Cryst ◽  
Rotation Axes ◽  
Full Occupancy

The structure of tetrasodium pentadecamolybdenum nonadecasulfide, Na4.25Mo15S19, is isotypic with Na3.9Mo15Se19[Salloumet al.(2013).Acta Cryst.E69, i67–i68]. It is characterized by Mo6Si8Sa6and Mo9Si11Sa6(whereirepresents inner andaapical atoms) cluster units that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2band 2c, and have point-group symmetry -3 and -6, respectively. The clusters are interconnected through additional Mo—S bonds. The Na+cations occupy interunit voids formed by six or seven S atoms. One Mo, one S and one Na site [occupancy 0.751 (12)] are situated on mirror planes, and two other S atoms and one Na site (full occupancy) are situated on threefold rotation axes.

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.

scholarly journals Dodecaallylhexasilacyclohexane

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Yoshiyuki Mizuhata ◽  
Yamato Omatsu ◽  
Norihiro Tokitoh
Keyword(s):  
Title Compound ◽  
Point Group ◽  
Chair Conformation ◽  
Group Symmetry ◽  
Point Group Symmetry ◽  
Compound C

The molecule of the title compound, C36H60Si6, exhibits point group symmetryCi, with the centre of inversion located at the centre of the Si6ring. The Si6ring has a chair conformation. In the crystal, molecules are linkedviaC—H...π(allyl) interactions.

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