(Tnmethylphosphine)(triphenylsilyl)gold(I) and Related Compounds

1999 ◽  
Vol 54 (1) ◽  
pp. 26-29 ◽  
Author(s):  
Miguel Monge Oroz ◽  
Annette Schier ◽  
Hubert Schmidbaur
Keyword(s):  
Crystal Structure ◽  
Crystal Lattice ◽  
Coordination Compounds ◽  
Ionic Species ◽  
X Ray Diffraction ◽  
X Ray ◽  
Halide Complexes ◽  
Related Compounds ◽  
Heteroleptic Complex

Mononuclear coordination compounds of the type (R3P)AuSiR′3 with R = R’ = Ph and R = Me, R′ = Ph have been obtained from reactions of the corresponding halide complexes (R3P)AuCl with the silyllithium reagent LiSiPh3. The fully phenylated species undergoes ligand redistribution in solution to give homoleptic ionic species. (Me3P)AuSiPh3 is less susceptible to this process and crystallizes from solutions as the heteroleptic complex. The crystal structure of this compound has been determined by X-ray diffraction. In the crystal lattice the molecules are not associated.

scholarly journals Crystal Chemical Relations in the Shchurovskyite Family: Synthesis and Crystal Structures of K2Cu[Cu3O]2(PO4)4 and K2.35Cu0.825[Cu3O]2(PO4)4

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 807
Author(s):  
Ilya V. Kornyakov ◽  
Sergey V. Krivovichev
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structural Complexity ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Complexity Measures ◽  
X Ray ◽  
The Family ◽  
Similarities And Differences ◽  
Related Compounds

Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2(PO4)4 (1) and K2.35Cu0.825[Cu3O]2(PO4)4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6] dimers of oxocentered (OCu4) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

scholarly journals Magnetically Oriented Powder Crystal to Indexing and Structure Determination

2014 ◽  
Vol 70 (a1) ◽  
pp. C1560-C1560
Author(s):  
Fumiko Kimura ◽  
Wataru Oshima ◽  
Hiroko Matsumoto ◽  
Hidehiro Uekusa ◽  
Kazuaki Aburaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Powder Diffraction ◽  
Diffraction Method ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal Lattice Parameters

In pharmaceutical sciences, the crystal structure is of primary importance because it influences drug efficacy. Due to difficulties of growing a large single crystal suitable for the single crystal X-ray diffraction analysis, powder diffraction method is widely used. In powder method, two-dimensional diffraction information is projected onto one dimension, which impairs the accuracy of the resulting crystal structure. To overcome this problem, we recently proposed a novel method of fabricating a magnetically oriented microcrystal array (MOMA), a composite in which microcrystals are aligned three-dimensionally in a polymer matrix. The X-ray diffraction of the MOMA is equivalent to that of the corresponding large single crystal, enabling the determination of the crystal lattice parameters and crystal structure of the embedded microcrytals.[1-3] Because we make use of the diamagnetic anisotropy of crystal, those crystals that exhibit small magnetic anisotropy do not take sufficient three-dimensional alignment. However, even for these crystals that only align uniaxially, the determination of the crystal lattice parameters can be easily made compared with the determination by powder diffraction pattern. Once these parameters are determined, crystal structure can be determined by X-ray powder diffraction method. In this paper, we demonstrate possibility of the MOMA method to assist the structure analysis through X-ray powder and single crystal diffraction methods. We applied the MOMA method to various microcrystalline powders including L-alanine, 1,3,5-triphenyl benzene, and cellobiose. The obtained MOMAs exhibited well-resolved diffraction spots, and we succeeded in determination of the crystal lattice parameters and crystal structure analysis.

The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: high-resolution X-ray diffraction, vibrational spectroscopy and computational study

2019 ◽  
Vol 7 (18) ◽  
pp. 5497-5505
Author(s):  
Ievgen V. Odynets ◽  
Sergiy Khainakov ◽  
Santiago Garcia-Granda ◽  
Roman Gumeniuk ◽  
Matthias Zschornak ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Visible Light ◽  
Crystal Lattice ◽  
Vibrational Spectroscopy ◽  
Computational Study ◽  
X Ray Diffraction ◽  
Piezoelectric Semiconductor ◽  
X Ray

The crystal lattice of piezoelectric semiconductor Sr2Nb2V2O11 adopts Cc ordering due to Γ2− mode distortion.

Synthesis of Novel Tetracarboxylato Dirhenium(III) Compounds and Crystal Structure of [Re2(1-Adamantylcarboxylate)4Cl2] · 4 CHCl3

2001 ◽  
Vol 56 (4-5) ◽  
pp. 381-385 ◽  
Author(s):  
Alexander V. Shtemenko ◽  
Alexander A. Golichenko ◽  
Konstantin V. Domasevitch
Keyword(s):  
Coordination Compounds ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Quadruple Bond ◽  
Metal Atoms ◽  
Vis Spectroscopy ◽  
Related Compounds ◽  
Van Der Waals Contacts

Abstract The coordination compounds o f the general formula Re2 (L)4X2 (X = Cl, Br; L = 1 -adamantyl-carboxylate and 1 -adamantylacetate) have been prepared and characterized by means of UV-VIS spectroscopy (20000 cm-1 , δ → δ*). The crystal and molecular structure of Re2(AdCOO)4Cl2 · 4 CHCl3 solvate was determined by X-ray diffraction. The units Re2(AdCOO)4Cl2 adopt a centrosymmetric dinuclear array with each metal atom coordinated in a distorted octahedron comprising one rhenium and one chlorine atoms (Re-Cl 2.505(2) Å) and four carboxylate oxygen atoms in the equatorial plane. The rhenium-rhenium separation of 2.2300(5) Å corresponds to quadruple bond between the metal atoms. All R e-0 bonds have an almost uniform length (2.017(4) -2.032(4) Å) and do not differ essentially from the parameters reported for related compounds. The closest environment of the Re2(AdCOO)4Cl2 molecules in the crystal comprises weak Cl---HC hydrogen bonds with the chloroform molecules and significantly shortened van der Waals contacts Cl---Cl, 3.46 Å.

Structural studies in the iron(III)/chloride/α,α'-diimine system. III. Crystal structures of Tris(2,2'-bipyridine)iron(II) μ-Oxo-bis[trichloroferrate(III)] and of 'Compound A', μ-Oxo-bis[cis-chlorobis(1 ,10-phenanthroline)iron(III)] chloride solvate

1983 ◽  
Vol 36 (10) ◽  
pp. 2057 ◽  
Author(s):  
PC Healy ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Ionic Species ◽  
Structural Studies ◽  
X Ray Diffraction ◽  
Compound A ◽  
X Ray

The crystal structure of [Fe(bpy)3] [CI3FeOFeCI3] (1) has been determined by single-crystal X-ray diffraction at 295 K, and refined by least squares to a residual of 0.058 for 2002 'observed' reflections. Crystals are monoclinic, P21/c, a 9.616(3), b 26.264(6), c 13.821(7) Ǻ, β 99.68(2)°, Z4. In the cation, Fe-N distances range from 1.956(9) to 1 .989(10) Ǻ; in the anion, Fe-Cl distances range from 2.196(5) to 2.225(5) Ǻ. Fe-O distances are 1.763(11) and 1.740(11) Ǻ, and the Fe-O-Fe angle is 148.9(7)°. Recrystallization of 'compound A' from methanolic aqueous solution yields crystals with stoichiometry [{cis-Fe(phen)2Cl}2O]Cl2.nH2O( n ≈ 4.5) as established by structure determination (hampered by serious disorder); R is 0.09 for 749 'observed' reflections. Crystals are orthorhombic, Pcn2, a 18.05(1), b 13.83(1), c 10.481(6) Ǻ, Z 2. The Fe-N distances trans to each other are 2.12(3) and 2.13(3) Ǻ; Fe-N distances trans to Cl and O are 2.20(2) and 2.28(2) Ǻ, respectively. Fe-CI is 2.34(1) and Fe-O 1.787(6) A; Fe-O-Fe is 161(1)°. For crystals from aqueous solution, an isomorphous but larger unit cell is obtained [2754(7), cf. 2616(3) Ǻ3]; it is believed that this is a consequence of variable occupancy of the disordered solvent layers which lie parallel to bc between the ionic species.

Crystal Structure of ζ2' Martensite in Au-49.5at%Cd Alloy

1991 ◽  
Vol 246 ◽  
Author(s):  
Yutaka Emura ◽  
Takuya Ohba ◽  
Kazuhiro Otsuka
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Crystal Lattice ◽  
Least Squares ◽  
Least Squares Method ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
X Ray ◽  
Lattice Constants

AbstractCrystal structure of the ζ2' martensite in a Au-49.5at%Cd ally has been analyzed by the single crystal x-ray diffraction method. The crystal lattice was trigonal and the lattice constants were a:0.8095(3) and c=o.57940(6) nm. There were 18 atoms in a unit cell. The space group was P3, which was different from that previously determined by Vatanayon and Hehemann. The structure was refined by the full matrix least squares method to a final R factor of 7.8% and a weighted R factor of 4.1%.

(E)-1-(9-Anthryl)-2-(10-methyl-9-anthryl)ethene: Molecular Structure and Spectroscopic Properties

1985 ◽  
Vol 38 (5) ◽  
pp. 809 ◽  
Author(s):  
H Becker ◽  
L Hansen ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal Lattice ◽  
Molecular Geometry ◽  
Spectroscopic Properties ◽  
Interplanar Distance ◽  
X Ray Diffraction ◽  
X Ray ◽  
Triphenylphosphonium Bromide

(E)-1-(9-Anthryl)-2-(10-methyl-9-anthryl) ethelle has been synthesized from 10-methyl-9-anthraldehyde and (9-anthrylmethyl) triphenylphosphonium bromide, and its crystal structure has been determined by X-ray diffraction. Its molecular geometry was found to be such as to have the planes of the two anthracene moieties form an angle of 70.8°, the plane of the ethene bond bring twisted out of the planes of the anthracenes by an angle of about 55°. The intermolecular arrangement of parallel adjacent molecules in the crystal lattice is characterized by shifts about the short and long axes of the anthracenes. The excimer-like crystal fluorescence is attributed to the interplanar distance of 3.5 Ǻ between anthracene π- systems in parallel adjacent molecules. Crystals are triclinic, Pī , a 12.95(1), b 9.316(6), c 9.098(9) Ǻ, α 86.17(7), β 72.26(7), γ 74.61(6)°,Z 2; R was 0.054 for 1059 independent 'observed' reflections.

Notes: Structure and Conformation of Photosynthetic Pigments and Related Compounds 3. Crystal Structure of β-Carotene

1992 ◽  
Vol 47 (5-6) ◽  
pp. 474-476 ◽  
Author(s):  
Mathias O. Senge ◽  
Häkon Hope ◽  
Kevin M. Smith
Keyword(s):  
Crystal Structure ◽  
Photosynthetic Pigments ◽  
Title Compound ◽  
Theoretical Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Crystal System ◽  
Compound C ◽  
Related Compounds ◽  
Β Carotene

The crystal structure of the title compound (C40H56, Mw = 536.8) has been redetermined by X-ray diffraction methods in order to achieve a structure at higher resolution suitable for theoretical calculations. The crystal system is monoclinic, P21/n, a = 7.656(2), b = 9.445(5), c = 23.536(15) Å, β = 93.41(2)°, V = 1698.8(15) Å3, Z = 2, D = 1.050 m g/m3, 130 K. R = 0.071, Rw = 0.076.

Synthese und Röntgenstrukturanalyse von Ba4LiCuO4(CO3)2 / Synthesis and X-Ray Analysis of Ba4LiCuO4(CO3)2

1995 ◽  
Vol 50 (1) ◽  
pp. 56-60 ◽  
Author(s):  
G. Tams ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
X Ray Diffraction ◽  
Laser Technique ◽  
Space Group ◽  
X Ray ◽  
Square Planar ◽  
Group D ◽  
Related Compounds

Single crystals of Ba4LiCuO4(CO3)2 have been prepared by CO2—LASER technique and investigated by single crystal X-ray diffraction. The compound crystallizes in the tetragonal space group D112d—I4̄2m (No. 121), a = 5.767(1), c = 15.2614(7) Å, Z = 2. It is isotypic with Ba4NaCuO4(CO3)2 and shows Li+ with octahedral and Cu3+ with square planar coordination by O2-. The crystal structure are discussed with respect to the related compounds Ba4NaAuO4(O2)2 and Ba4KAuO4(C2)2.

scholarly journals New Coordination Polymers of Zinc(II), Copper(II) and Cadmium(II) with 1,3-Bis(1,2,4-triazol-4-yl)adamantane

Inorganics ◽  
2020 ◽  
Vol 8 (11) ◽  
pp. 60
Author(s):  
Nertil Xhaferaj ◽  
Aurel Tăbăcaru ◽  
Marco Moroni ◽  
Ganna A. Senchyk ◽  
Kostiantyn V. Domasevitch ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Coordination Polymers ◽  
Coordination Compounds ◽  
The Other ◽  
Double Layers ◽  
X Ray Diffraction ◽  
Metal Centre ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Thermal Stability Of

The new coordination polymers (CPs) [Zn(tr2ad)Cl2]n, {[Cu(tr2ad)Cl]Cl∙4H2O}n, [Cd2(tr2ad)Cl4]n, {[Cu(tr2ad)(NO3)](NO3)}n and {[Cd(tr2ad)(NO3)](NO3)∙H2O}n were obtained in the form of air- and moisture-stable microcrystalline powders by the solvothermal reactions of zinc(II), copper(II) and cadmium(II) chlorides or nitrates with the ligand 1,3-bis(1,2,4-triazol-4-yl)adamantane (tr2ad). Investigation of the thermal behaviour assessed the thermal stability of these CPs, with [Cd2(tr2ad)Cl4]n starting to decompose only around 365 °C. As retrieved by powder X-ray diffraction, while [Zn(tr2ad)Cl2]n features 1-D chains along which the metal centre shows a tetrahedral geometry and the spacer is exo-bidentate, the other CPs contain 2-D double-layers in which the metal ions possess an octahedral stereochemistry and the linker is exo-tetradentate. A comparative structural analysis involving known coordination compounds containing the tr2ad ligand enabled us to disclose (i) the versatility of the ligand, as far as the coordination modes are concerned; (ii) the variability in crystal structure dimensionality, ranging from 1-D to 3-D; (iii) the fact that, to the best of our knowledge, [Zn(tr2ad)Cl2]n is the first ZnII-based CP containing the tr2ad spacer.

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