Crystal structure of thiogermanic acid H(4)Ge(4)S(10)

X-ray diffraction analysis reveals the thiogermanic acid H(4)Ge(4)S(10) possesses discrete adamantane-like Ge(4)S(10)(4)(-) complex anions. Each thioanion is composed of four corner shared GeS(2.5)(-) tetrahedral units. Crystals were grown from anhydrous liquid hydrogen sulfide reactions with glassy germanium sulfide at room temperature. The crystal structure was solved and refined from single crystal diffractometer data (Mo Kalpha radiation) obtained at 173 K. H(4)Ge(4)S(10) is triclinic, centrosymmetric space group Ponemacr;, with a = 8.621(4) A, b = 9.899(4) A, c = 10.009(4) A, alpha = 85.963(7) degrees, beta = 64.714(7) degrees, gamma = 89.501(8) degrees, and Z = 2. Average bridging and terminal d(Ge-S) distances are 2.229 and 2.206 A, respectively. Vibrational mode assignments are reported from Raman scattering and IR absorption spectra of polycrystalline samples. The nu(s)(Ge-S-Ge) and nu(s)(Ge-S(-)) stretching modes are observed at 354 and 405 cm(-)(1), respectively.     

The structure of KCe(III)Ce(IV)(SO4)4

Institute of Chemistry and Technology of Rare Elements and Mineral Raw Material, Kol'sk Branch, Academy of Sciences of the USSR. Institute of Organization of the National Economy, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 31, No. 5, pp. 14–18, September–October, 1990.     

Crystal structure of RbNbO(SO4)2

Journal of Structural Chemistry -     

Electronic structure of Co4(CO)12

The electronic structure of the Co₄(CO)₁₂ cluster has been studied by the extended semiempirical INDO method. The MO diagrams, atomic valences, and bond multiplicities are analyzed for the T_d and C_3v conformations of Co₄(CO)₁₂. Assignment of the electronic spectrum is suggested; the electronic structure of the lowest electronic-excited states is considered.St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 34, No. 6, pp. 20–30, November–December, 1993.Translated by L. Smolina     

Crystal structure of EuH(SeO4)2

Institute of Chemical Reagents. Translated from Zhurnal Strukturnoi Khimii, Vol. 32, No. 3, pp. 30–33, May–June, 1991.     

Crystal structure of synthetic Cu3SeO4(OH)4

Summary The crystal structure of synthetic Cu₃SeO₄(OH)₄ was determined by single crystal X-ray methods:a=8.382 (2) Å,b=6.087 (1) Å,c=12.285 (2) Å,V=626.8 ų,Z=4, space group Pnma,R=0.026,R _w =0.021 for 1255 independent reflections (sin / 0.8 Å^–1). The crystal structure is isotypic to that of the mineral antlerite, Cu₃SO₄(OH)₄. The copper atoms are Jahn-Teller distorted with Cu^[4+2]O₆ polyhedra forming triple chains along [010]. These chains are linked via SeO₄ tetrahedra and weak hydrogen bonds to a framework structure.

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Die Kristallstruktur von synthetischem Cu₃SeO₄(OH)₄

Zusammenfassung Die Kristallstruktur von synthetischem Cu₃SeO₄(OH)₄ wurde mittels Einkristall-Röntgenmethoden ermittelt:a=8.382 (2) Å,b=6.087 (1) Å,c=12.285 (2) Å,V=626.8 ų,Z=4, Raumgruppe Pnma,R=0.026,R _w =0.021 für 1255 unabhängige Reflexe (sin / 0.8 Å^–1). Die Kristallstruktur ist isotyp mit der des Minerals Antlerit, Cu₃SO₄(OH)₄. Die Kupferatome sind Jahn-Teller-verzerrt, die Cu^[4+2]O₆ Polyeder bilden Dreierketten entlang [010]. Diese Ketten sind über SeO₄-Tetraeder und schwache Wasserstoffbrücken zu einer Gerüststruktur verbunden.

     

Synthesis of platinum-mercury clusters and the molecular structure of Pt4(HgBr)2(μ-CO)4(PPh3)4

New platinum-mercury clusters, Pt₄(HgX)₂(μ-CO)₄(PR₃)₄ (X=Cl, Br, I, CF₃, or CCl₃; R=Ph or Et), were synthesized. The molecular and crystal structure of the Pt₄(HgBr)₂(μ-CO)₄(PPh₃)₄ cluster was established by X-ray structural analysis.     

On R(4) symmetries in atomic structure

By defining a new rotation group in four dimensions we show that previous phase discrepancies can be accounted for. Furthermore we demonstrate that the new R(4) group is the one to be used in the study of atomic correlation.     

The crystal structure of (AsPh4)2[OsN(OH)(CN)4]

Summary The crystal structure of (AsPh₄)₂[OsN(OH)(CN)₄] has been determined from three-dimensional X-ray diffraction data. The [OsN(OH)(CN)₄]^2– ion has a distorted octahedral geometry with bond distances: ON = 1.606(5), Os-OH = 2.123(5) and Os-C_av = 2.068(8) Å. The osmium atom is displaced 0.26 Å from the equatorial cyano-carbon atom plane.     

The crystal structure of 1-(4-chlorophenyl)-3-(4-methylbenzoyl)thiourea

1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea was synthesized and characterized by IR,¹H and ¹³C NMR, mass spectroscopy and the elemental analysis. The crystal structure was confirmed from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P2₁/c with unit cell dimensions a=12.038(3), b=6.330(6), c=18.912(5) Å and β=100.32(3)°. There is a strong intramolecular hydrogen bond of the type N?H...O, with distance N1...O1=2.659(3) Å. The structure is composed of dimers related by inversion centers. The dimers are formed by intermolecular interactions of the type N?H...S with N...S separation of 3.440(2) Å. The mass fragmentation pattern has also been discussed.     

Crystal structure of nitrate tris(4-allylthiosemicarbazide)-chromium(III) hydrate

The crystal structure of nitrate tris(4-allylthiosemicarbazide)chromium(III) hydrate [CrL₃](NO₃)₃(H₂O)_1.05 (I), where L is 4-allylthiosemicarbazide, is determined. The asymmetric unit of the cell of the crystal structure of I contains a complex of a chromium ion with three bidentate coordinated molecules L. The outer coordination sphere of the central atom contains a disordered water molecule and three nitrate ions. The coordination polyhedron of the chromium atom in complex I is an octahedron. In the crystal, the complexes of the compound under study are joined with each other by the outer-sphere nitrato groups into a three-dimensional branched net of hydrogen bonds.     

Crystal structure of 4,5-bis(4-dimethylaminophenyl)-2-(4-nitrophenyl)imidazole.

A nonlinear optical chromophore, 4,5-bis(4-dimethylaminophenyl)-2-(4-nitrophenyl)imidazole, was investigated by X-ray crystallography. The study focused on coplanarity among several aromatic rings, including phenyls and imidazole. Two phenyl rings with NMe2 groups are twisted by 46.39(3) degrees from each other. However, they are twisted by 23.05(5) degrees and 46.84(3) degrees from the imidazole, respectively. These unequal twists were elucidated by different conjugation pathways from the donors to the acceptor. The phenyl ring with the NO2 group is twisted by only 6.76(6) degrees from the imidazole.