Coordination compounds of Hg22+: The crystal structure of Bis(acridine)dimercury(I) perchlorate

1976 ◽  
Vol 29 (4) ◽  
pp. 723 ◽  
Author(s):  
D Taylor
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Coordination Compounds ◽  
Three Dimensional ◽  
Mercury Atom ◽  
Steric Interaction ◽  
Space Group ◽  
X Ray ◽  
Metal Ligand ◽  
Block Diagonal

Crystals of bis(acridine)dimercury(1) perchlorate, [Hg2(C13H9N)2] (ClO4)2 are monoclinic, a = 10.629(1), b = 16.841(2), c = 7.142(1) �, β = 99.06(2)�, space group I2/m with Z = 2 dimeric formula units. The structure was solved from three-dimensional diffractometer X-ray data(1427 independent reflections), block-diagonal least-squares refinement of all atoms, including hydrogens, converging at R = 0.028. The mercury dimer, Hg-Hg 295177(5)�, is coordinated in the axial positions by the acridine molecules, Hg-N 2.150(5) �, the cation having C2h symmetry.There are also two long contacts from each mercury atom to oxygen atoms of the perchlorate ions, Hg-0 2.958(6) �. Evidence for a metal-ligand steric interaction is presented.

Verfeinerung der Kristallstruktur eines basaltischen Magnesio-Hastingsites

1981 ◽  
Vol 156 (3-4) ◽  
Author(s):  
E. M. Walitzi ◽  
F. Walter
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Least Squares Method ◽  
Three Dimensional ◽  
Full Matrix ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the basaltic clino-amphibole magnesio-hastingsite was refined from three-dimensional photographic X-ray data by a full matrix least-squares method in the space group

THE CRYSTAL STRUCTURE OF K2TeBr6

1964 ◽  
Vol 42 (12) ◽  
pp. 2758-2767 ◽  
Author(s):  
I. D. Brown
Keyword(s):  
Crystal Structure ◽  
Diffraction Analysis ◽  
Least Squares ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Cubic Form ◽  
Efficient Packing

Crystals of K2TeBr6 are monoclinic, space group [Formula: see text] with a = 7.521, b = 7.574, and c = 10.730 Å; β = 89° 40′. Atomic positions have been found by three dimensional X-ray diffraction analysis (least squares R = 0.12). The crystals possess a K2PtCl6 structure which is distorted to allow a more efficient packing of the comparatively large anions than is possible with the undistorted cubic form. The stereochemistry of the octahedral TeBr6− ion (Te—Br = 2.71 Å) is discussed.

Atomanordnung und Strukturverfeinerung von Cancrinit

1965 ◽  
Vol 122 (1-6) ◽  
pp. 407-422
Author(s):  
O. Jarchow
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Least Squares Method ◽  
Three Dimensional ◽  
The Other ◽  
Threefold Axis ◽  
Space Group ◽  
X Ray

Abstract X-ray photographe of (Ca, Na)CO3 cancrinites show diffuse satellites with the indices (h k l ± 3/7), The examined crystals from Litchfield, U.S.A., have the space group P63 and the lattice dimensions a = 12.75 Å and c = 5.14 Å. The crystal structure has been determined-independently of all previous structure assumptions-from the relation of the transformation hauyn-canorinite and refined on three-dimensional data by the least-squares method to R = 0.089. The structure is composed of an ordered Si, Al framework with channels around the threefold axis and the axis 63; the other cations and anions as Na, Ca, H2O, CO3 etc. are enclosed in these channels.

Crystal structure of biphenylenyliodonium[bis(phenylsulphonyl)] methylsulphonylmethylide, C28H21IO6S3

1994 ◽  
Vol 209 (6) ◽  
Author(s):  
A. P. Bozopoulos ◽  
C. A. Kavounis ◽  
G. A. Stergioudis ◽  
P. J. Rentzeperis ◽  
A. Varvoglis
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Computer Controlled

AbstractThe crystal and molecular structure of the title compound (BPIS hereafter) has been determined from three-dimensional X-ray data, measured on a computer-controlled STOE AED 2 diffractometer. The structure is triclinic Space groupThe structure was solved by Patterson and Fourier syntheses and refined by least-squares calculations to a finalTwo I-C

Die Röntgenstrukturanalyse von (CO)9Co3CΟΒΒr2Ν(C5)3. X-ray Structure Analysis of (CO)9Co3COBBr2N(C2H5)3

1976 ◽  
Vol 31 (3) ◽  
pp. 342-344 ◽  
Author(s):  
Volker Bätzel
Keyword(s):  
Least Squares ◽  
Structure Analysis ◽  
Reliability Index ◽  
Three Dimensional ◽  
Diagonal Matrix ◽  
Crystal Data ◽  
Block Diagonal Matrix ◽  
Fourier Methods ◽  
Space Group ◽  
X Ray

Using three dimensional X-ray data collected on a four circle diffractometer, the structure of (CO)9Co3COBBr2N(C2H5)3 was solved by Patterson and Fourier methods. Least squares refinement with a block-diagonal matrix leads to a reliability index of R = 10.7%. Crystal data: α = 13.277(6) Å, b = 10.17(1) Å, c = 9.22(2) Å; α = 91.12(6)°, β = 87.61(4)°, γ = 98.79(2)°; space group P1̅; Z = 2; V = 1229,7 Å3; Dx = 1.97 gcm-3.

The crystal structure of gersdorffite (III), a distorted and disordered pyrite structure

1968 ◽  
Vol 36 (283) ◽  
pp. 940-947 ◽  
Author(s):  
P. Bayliss ◽  
N. C. Stephenson
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Partially Ordered ◽  
The Ideal

SummaryThe crystal structure of gersdorffite (III) has been examined with three-dimensional Weissenberg X-ray diffraction data. The unit cell is isometric with a 5·6849 ± 0·0003 Å, space group PI, and four formula units per cell. This structure has the sulphur and arsenic atoms equally distributed over the non-metal atom sites of pyrite. All atoms show significant random displacements from the ideal pyrite positions to produce triclinic symmetry, which serves to distinguish this mineral from a disordered cubic gersdorffite (II) and a partially ordered cubic gersdorffite (I). Factors responsible for the atomic distortions are discussed.

Über das Erdalkalimetall-Lanthanoid-Kupfer-Oxomolybdat (Cu0,22Mg0 ,78)BaNd2Mo4O16/The Alkaline Earth Rare Earth Copper-Oxomolybdate (Cu0.22Mg0.78)BaNd2Mo4O16

1995 ◽  
Vol 50 (4) ◽  
pp. 577-580 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystals ◽  
Alkaline Earth ◽  
Three Dimensional ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Single crystals of (Cu0.22Mg0.78)BaNd2Mo4O16 have been prepared by crystallization from melts and investigated by X-ray methods. The compound crystallizes monoclinically, space group C62h - C12/c1, Z = 4, a = 5.351(1), b = 12.891(2), c = 19.391(4) Å,β = 90.899(14)° and is isotypic to CuKHo2Mo4O16. The crystal structure is dominated by BaO10 and NdO8 polyhedra forming a three-dimensional polyhedra network, which is filled by axially distorted (Cu,Mg)O6 octahedra and MoO4 tetrahedra.

The crystal structure of dibutyl-bis(pentamethylenedithiocarbamato)tin(IV)

1986 ◽  
Vol 51 (11) ◽  
pp. 2521-2527 ◽  
Author(s):  
Jan Lokaj ◽  
Eleonóra Kellö ◽  
Viktor Kettmann ◽  
Viktor Vrábel ◽  
Vladimír Rattay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Coordination Polyhedron ◽  
Crystal And Molecular Structure ◽  
Distorted Octahedron ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal and molecular structure of SnBu2(pmdtc)2 has been solved by X-ray diffraction methods and refined by a block-diagonal least-squares procedure to R = 0.083 for 895 observed reflections. Monoclinic, space group C2, a = 19.893(6), b = 7.773(8), c = 12.947(8) . 10-10 m, β = 129.07(5)°, Z = 2, C20H38N2S4Sn. Measured and calculated densities are Dm = 1.38(2), Dc = 1.36 Mg m-3. Sn atom, placed on the twofold axes, is coordinated with four S atoms in the distances Sn-S 2.966(6) and 2.476(3) . 10-10 m. Coordination polyhedron is a strongly distorted octahedron. Ligand S2CN is planar.

The crystal structure of kogarkoite, Na3SO4F

1980 ◽  
Vol 43 (330) ◽  
pp. 753-759 ◽  
Author(s):  
L. Fanfani ◽  
G. Giuseppetti ◽  
C. Tadini ◽  
P. F. Zanazzi
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Least Squares Method ◽  
Thermal Parameters ◽  
Cell Content ◽  
Space Group ◽  
X Ray ◽  
Structural Relationships ◽  
Automatic Diffractometer ◽  
Monoclinic Cell

SummaryThe crystal structure of synthetic kogarkoite has been determined from X-ray data collected on an automatic diffractometer. The refinement was performed by a least-squares method employing anisotropic thermal parameters. The 3157 reflections with I > 3σ(I) converged to a conventional R value of 0.033. The cell content is 12 Na3SO4F, the space-group P21/m, a = 18.074, b = 6.958, c = 11.443 Å, β = 107.71°.Kogarkoite presents a marked trigonal subcell with c′ corresponding to [102] of the monoclinic cell. The tridimensional framework can be considered built up by nine differently stacked layers of Na atoms approximately perpendicular to the c′ axis (five sheets are present in galeite, six in sulphohalite, and seven in schairerite). The very close structural relationships between these minerals are discussed.

An X-ray structural examination of an intermediate from the cleavage of a vic-diol by iodine(I) acetate

1980 ◽  
Vol 33 (3) ◽  
pp. 671 ◽  
Author(s):  
PG Beckingsale ◽  
JM Waters ◽  
TN Waters
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
Direct Methods ◽  
Structural Examination ◽  
Space Group ◽  
X Ray

The crystal structure of a compound isolated after reaction of iodine(1) acetate with cis-cyclohexane-1,2-diol has been determined by direct methods. It is identified as 2,2'-(butane-1,4-diyl)bis(hexahydro-1,3-benzodioxole). Crystals are orthorhombic, a 8.625(2), b 7.589(1), c 26.187(5) Ǻ, space group Pbca, Z 4. Least- squares refinement brought R to 0.046.

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