Die Kristallstruktur von [YbCl2(THF)5]+[WOCl4(THF)]- / Crystal Structure of [YbCl2(THF)5]+[WOCl4(THF)]-

1999 ◽  
Vol 54 (12) ◽  
pp. 1609-1610 ◽  
Author(s):  
M. Karl ◽  
G. Seybert ◽  
W. Massa ◽  
K. Dehnicke
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Chlorine Atoms ◽  
Space Group ◽  
X Ray ◽  
Ytterbium Atom ◽  
Moisture Sensitive ◽  
Tungsten Hexachloride

Blue moisture sensitive single crystals of [YbCl2(THF)5]+[WOCl4(THF)]- were obtained as a by-product from the reaction of the ytterbium trisamide Yb[N(SiMe3)2]3 with tungsten hexachloride in THF solution. The crystals were suitable for an X-ray crystal structure determination. Space group P2/c, Z = 2, lattice dimensions at -80 °C: a = 1192.5(1), b = 1117.1(1), c = 1349.9(1) pm, ß = 104.115(7)°, R = 0.0424. The structure consists of cations [YbCl2(THF)5]+ in which the ytterbium atom is coordinated in a pentagonalbipyramidal way by the chlorine atoms in the axial positions and by the oxygen atoms of the THF molecules in equatorial positions. Counterions are the well-known [WOCl4(THF)]- ions.

Notizen: Notiz zur Kristallstruktur von APb2Cl5-Verbindungen / Notice about Crystal Structures of APb2Cl5-Compounds

1976 ◽  
Vol 31 (6) ◽  
pp. 885 ◽  
Author(s):  
H.-L. Keller.
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Crystal Structures ◽  
Diffraction Data ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

Single crystals of TlPb2Cl5 and NH4Pb2Cl5 were prepared. X-ray diffraction data confirm the space group C2h5—P21/c (No. 14). Crystal structure determination shows a new typ, belonging to the PbCl2-structure.

scholarly journals Über die Reaktion von Wolframhexachlorid mit Se4N2; Kristallstruktur von PPh4[WCl5(NSeCl)] / On the Reaction of Tungsten Hexachloride with Se4N2; Crystal Structure of PPh4[WCl5(NSeCl)]

1991 ◽  
Vol 46 (12) ◽  
pp. 1625-1628 ◽  
Author(s):  
Stefan Vogler ◽  
Werner Massa ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Structure Determination ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Tetraphenylphosphonium Chloride ◽  
Tungsten Hexachloride

The reaction of tungsten hexachloride with Se4N2 leads to [WCl4(NSeCl)]2, which reacts with pyridine to form [WCl4(NSeCl)Py], and with tetraphenylphosphonium chloride to form PPh4[WCl5(NSeCl)], which was characterized by an X-ray structure determination. Space group P21, Z = 2, 1657 observed unique reflections, R = 0.074, wR = 0.061. Lattice dimensions at —80 C: a = 710.7(1), b = 2217.9(4), c = 953.6(2) pm; β = 111.93(3) . The [WCl5(NSeCl)]- ion possesses an almost linear WNSe group with bond lengths WN = 188 pm, corresponding to a double bond, and NSe = 200 pm.

scholarly journals The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of ‘hidden’ complex twinning in large single crystals

2020 ◽  
Vol 84 (5) ◽  
pp. 699-704
Author(s):  
Luca Bindi ◽  
Andrew C. Roberts ◽  
Cristian Biagioni
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Unit Cell ◽  
Crystal Structure Determination ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Structure Determinations

AbstractAlstonite, BaCa(CO3)2, is a mineral described almost two centuries ago. It is widespread in Nature and forms magnificent cm-sized crystals. Notwithstanding, its crystal structure was still unknown. Here, we report the crystal-structure determination of the mineral and discuss it in relationship to other polymorphs of BaCa(CO3)2. Alstonite is trigonal, space group P31m, with unit-cell parameters a = 17.4360(6), c = 6.1295(2) Å, V = 1613.80(9) Å3 and Z = 12. The crystal structure was solved and refined to R1 = 0.0727 on the basis of 4515 reflections with Fo > 4σ(Fo) and 195 refined parameters. Alstonite is formed by the alternation, along c, of Ba-dominant and Ca-dominant layers, separated by CO3 groups parallel to {0001}. The main take-home message is to show that not all structure determinations of minerals/compounds can be solved routinely. Some crystals, even large ones displaying excellent diffraction quality, can be twinned in complex ways, thus making their study a crystallographic challenge.

Die Kristallstruktur von [Na4(OSiPh3)4(H2O)3] / The Crystal Structure of [Na4(OSiPh3)4(H2O)3]

1996 ◽  
Vol 51 (11) ◽  
pp. 1583-1586 ◽  
Author(s):  
A. Mommertza ◽  
K. Dehnickea ◽  
J. Magull
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Single Crystals ◽  
Coordination Number ◽  
Structure Determination ◽  
Title Compound ◽  
Saturated Solution ◽  
Crystal Structure Determination ◽  
Humid Atmosphere ◽  
Space Group

Colourless single crystals of the title compound are obtained from a saturated solution of NaOSiPh3 in toluene in a humid atmosphere. We have characterized [Na4(OSiPh3)H2O)3] by IR spectroscopy and by a crystal structure determination. Space group R3, Z = 6 , R = 0.056. Lattice dimensions at -70°C: a = b = 1540.3 pm, c = 2639.6 pm. The compound has the structure of a Na4O4 heterocubane which is only slighty distorted and in which one of the sodium atoms is not hydrated and shows coordination number three.

Synthese und Kristallstruktur von N,N′-Bis(trimethylsilyl)benzamidinato-dichlorogold, Ph— C(NSiMe3)2AuCl2 / Synthesis and Crystal Structure of N,N′-Bis(trimethylsilyl)benzamidinato-dichlorogold, Ph — C(NSiMe3)2AuCl2

1989 ◽  
Vol 44 (9) ◽  
pp. 999-1002 ◽  
Author(s):  
Wolfgang Hiller ◽  
Joachim Strähle ◽  
Alfred Zinn ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Gold Atom ◽  
Chlorine Atoms ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Square Planar

Ph—C(NSiMe3)2AuCl2 has been prepared by the reaction of N,N,N′-tris(trimethylsilyl)-benzamidine with AuCl3 in CH2Cl2 suspension, forming orange-red crystals, which were characterized by an X-ray structure determination.Space group P21/n, Z = 4, 2358 observed independent reflexions, R = 0.028. Lattice dimensions (20°C): a = 695.9(3); b = 1576.1(3); c = 1830.9(3) pm; β = 94.27(3)°. The compound forms monomeric molecules, in which the gold atom is in a square planar arrangement of the two nitrogen atoms of the benzamidinato chelate (Au—N 201.6(7); 203.3(6) pm) and by two chlorine atoms (Au—Cl 227.9(3); 228.5(2) pm).

Die Kristallstruktur von [Na(12-Krone-4)2+]2Se82- · (Se6, Se7) / The Crystal Structure of [Na(12-Crown-4)2+]2Se82- · (Se6, Se7)

1991 ◽  
Vol 46 (10) ◽  
pp. 1287-1292 ◽  
Author(s):  
Rüdiger Staffel ◽  
Ulrich Müller ◽  
Andreas Ahle ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal Structure Determination ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Disordered Structure

The title compound was prepared from sodium polyselenide and 12-crown-4 in DMF solution in the presence of cerium(III)chloride in the form of black needles. The crystal structure determination by X-ray diffraction shows a partially disordered structure, in which the anionic units Se82- · Se7 and Se82- · Se6 are present in the ratio 0.72/0.28. These units are associated to layers parallel to (100); the layers alternate with pseudohexagonal layers of [Na(12-crown-4)2]+ ions. Space group P1̅, Z = 2, 3903 observed unique reflections, R = 0.114, wR= 0.084. Lattice dimensions at -65°C: a = 1247.9(3), b = 1367.8(8), c = 1660(1) pm, α = 94.65(5), β = 98.94(3), γ = 91.10(3)°.

Notizen: Synthese und Kristallstruktur von [OsCl4(CH3CN)2] · 1/2 CH3CN / Synthesis and Crystal Structure of [OsCl4(CH3CN)2] · 1/2CH3CN

1990 ◽  
Vol 45 (8) ◽  
pp. 1210-1212 ◽  
Author(s):  
Dieter Fenske ◽  
Gerhard Baum ◽  
Hans-Walter Swidersky ◽  
Kurt Dehnicke
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Structure Determination ◽  
Room Temperature ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Slow Reaction ◽  
Moisture Sensitive

[OsCl4(CH3CN)2] · 1/2CH3CN has been prepared by the reaction of OsCl5 with acetonitrile in a slow reaction at room temperature, forming red, moisture sensitive crystals. The compound was characterized by IR spectroscopy as well as by an X-ray structure determination. Space group Pnma, Z = 4, 1281 observed unique reflexions, R = 0.031. Lattice dimensions at 20 °C: a = 1032.5(5), b = 1356.0(7), c = 975.9(5) pm. The complex has a molecular structure, in which the osmium atom is octahedrally coordinated by four chlorine atoms and by two N-atoms of the ciscoordinated acetonitrile molecules. The included CH3CN molecules are disordered in two positions.

Kristallstruktur von [Mo(Co)3(Ncme)(Srbu)]2 / Crystal Structure of [Mo(CO)3(NCMe)(S'Bu)]2

1998 ◽  
Vol 53 (3) ◽  
pp. 378-380
Author(s):  
Mike R. Kopp ◽  
Bernhard Neumüller
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Single Crystals ◽  
Structure Determination ◽  
Space Group ◽  
X Ray

Abstract Single crystals of [Mo(CO)3(NCMe)(S′Bu)]2 (1) and [{Mo(CO)3}2{Mo(CO)2}{S′Bu}4] (2) were obtained by the reaction of [Mo(CO)3(NCMe)3] with [(PhCH2)2GaS′Bu]2 in 1,4-dio-xane. The X-ray structure determination of 1 showed the presence of a Mo2S2 four-membe-red ring with a Mo-Mo bond length of 296,7(1) pm. Space group Pbca, Z = 4, lattice dimen­sions at -80°C: a = 1588,2(3), b = 905,8(1), c = 1676,0(1) pm, R1 = 0,0555.

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

Synthese von 5-Methylthio-2-thioxo-1,3-dithiol-4-carbonsäureamiden und -thiolestern, 3-Alkyl-5-bis(alkylthio)methylen-2-thioxo-1,3-thiazol-4(5 H)-onen sowie Röntgenkristallstrukturanalyse des 5-Methylthio-2-thioxo-1,3-dithiol-4-carbonsäure-(N-methyl-anilids) / Synthesis of 5-Methylthio-2-thioxo-1,3-dithiole-4-carboxamides and -thiolesters, 3-Alkyl-5-bis(alkylthio)methylene-2-thioxo-1,3-thiazole-4(5 H)-ones, and X-ray Analysis of 5-Methylthio-2-thioxo-1,3-dithiole-4-carboxyl N-methyl-anilide

1991 ◽  
Vol 46 (9) ◽  
pp. 1251-1257 ◽  
Author(s):  
Wolfgang Dölling ◽  
Kerstin Friedemann ◽  
Frank Heinemann ◽  
Helmut Hartung
Keyword(s):  
Crystal Structure ◽  
Carbonyl Group ◽  
Carbon Disulfide ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Space Group ◽  
X Ray

5-Methylthio-2-thioxo-1,3-dithiole-4-carboxamides (2a–e), the methyl 5-methylthio-2-thioxo-1,3-dithiole-4-carboxythiolate (9), and 3-alkyl-5-bis(alkylthio)methylene-2-thioxo-1,3-thiazole-4(5 H)-ones (4a–f) are obtained by reaction of the corresponding N-substituted ethylxanthogen-acetamides (1, 3, 6) with carbon disulfide under basic conditions followed by alkylation.5-Methylthio-2-thioxo-1,3-dithiole-4-carboxyl N-methyl-anilide (2d) was characterized by an X-ray crystal structure determination (space group P 1̄, a = 877.3(1), b = 1111.1(2), c = 837.6(1) pm, α = 104.22(2), β = 110.41(1), γ = 69.64(2)°, Ζ = 2, R = 0.039 for 1746 observed unique reflections).The α-oxoketene dithioacetal moiety of the molecule exhibits a noticeable derivation from planarity by a twist of the carbonyl group out of the ethylene plane and shows a short intramolecular S ··· O contact of 277.1 (3) pm.

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