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.

Die Kristallstruktur von Bis-[methylammonium]-hexafluorosilikat, (MeNH3)2SiF6 / The Crystal Structure of Bis-[methylammonium]-hexafluorosilicate, (MeNH3)2SiF6

2002 ◽  
Vol 57 (9) ◽  
pp. 1003-1007 ◽  
Author(s):  
Jens Graulich ◽  
Dietrich Babel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Bond Length ◽  
Structure Determination ◽  
Average Bond Length ◽  
Space Group ◽  
X Ray ◽  
Average Bond

The results of a single crystal X-ray structure determination of monoclinic (MeNH3)2SiF6 are reported: a = 962.3(5), b = 964.4(1), c = 966.4(5) pm, " = 100.03(3)°; V = 883.2(7) Å3, Z = 4, space group C2/c; wR2 = 0.0999 based on F02 of 1291 independent reflections (including H refinement without restrictions). The structure is related to that of (NH4)2SiF6, but contains the dumb-bells of the cations well oriented along the greater cell diagonals and fixed by one nearly linear and two bi-furcated hydrogen bonds (N...F: 281 and 293 - 305 pm, resp.). The [SiF6]2- octahedron is nearly undistorted with average bond length Si-F: 167.7 pm (169.9 pm corrected for thermal motion)

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

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.

scholarly journals Metallation of Isatin (2,3-Indolinedione). X-Ray Structure and Solution Behavior of Bis(Isatinato)Mercury(II)

1995 ◽  
Vol 2 (2) ◽  
pp. 81-90 ◽  
Author(s):  
Angel Garcia-Raso ◽  
Juan J. Fiol ◽  
Elies Molins ◽  
Antonia M. Calafat ◽  
Patricia A. Marzilli ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Metal Complex ◽  
Bond Length ◽  
Spectral Data ◽  
Structure Determination ◽  
Monoclinic System ◽  
Heterocyclic Nitrogen ◽  
X Ray

The first X-ray structure of an isatin (2,3-indolinedione, isaH) metal complex, bis(isatinato)memury(II) (C16H8N2O4Hg) (1), was determined. (1) was obtained from the reaction of isaH with mercury(II) acetate in methanol. Analogously, treatment of sodium saccharinate and mercury(II) acetate in methanol yielded Hg(saccharinato)2•0.5CH3OH (3). (1) crystallizes in the monoclinic system, space group P21/a with a = 7.299(1) Å, b = 8.192(1) Å, c = 11.601(1) Å , β = 105.82(1)°, V = 667.4 Å3, Z = 2, Dcalc = 2.452 g cm−3, MoKα radiation(λ = 0.71073 Å), μ = 115.5 cm-1, F(000) = 460, 21(1) °C. The structure was refined on the basis of 2023 observed reflections to R= 0.044. The two deprotonated, non coplanar isa ligands are trans to each other in a head to tail orientation and bound to the Hg through the nitrogen in a linear N-Hg-N arrangement. The Hg atom is at the center of symmetry of the complex and displaced by 0.62 Å from the two planes of the isa ligands (τ Hg-N1-C2-O2= -16°). The Hg-N bond length is 2.015 Å. Noπ-aryl-memury(ll)-π-aryl stacking interaction was observed either in the solid state or in the solution state. The IR, electronic, and H1 and C13NMR spectral data of (1) and (3) suggest binding of the memury to the heterocyclic nitrogen, in agreement with the crystal structure determination of (1).

Kristallstruktur von Cs2[B6H5(SCN)]/ Crystal Structure of Cs2[B6H5(SCN)]

1998 ◽  
Vol 53 (8) ◽  
pp. 816-818 ◽  
Author(s):  
W. Preetz ◽  
S. Zander ◽  
C. Bruhn
Keyword(s):  
Crystal Structure ◽  
Ion Exchange ◽  
Structure Determination ◽  
Deae Cellulose ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstract By reaction of [B6H6]2-with (SCN)2 in dichloromethane at -80 C° the thiocyanatohexaborate anion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl (DEAE) cellulose. The X-ray structure determination of Cs2[B6H5(SCN)] (orthorhombic, space group Pbca with a = 9.506(5), b = 10.644(5), c = 21.857(5) Å, Z = 8) reveals that the SCN substituent is bonded via the S atom with the B-S distance of 1.885(9) Å and the B-S-C angle of 99.8(5)°. The SCN group is nearly linear (179.9(9)°).

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.

Na5InTe4 und Na5In2Te6 — Erste Beispiele für Neso-sowie Ditelluro-verbrückte Inotelluroindate/Na5InTe4 and Na5In2Te6 — First Examples of Neso-and Ditelluro-Bridged Inotelluroindates

1990 ◽  
Vol 45 (1) ◽  
pp. 8-14 ◽  
Author(s):  
Brigitte Eisenmann ◽  
Achim Hofmann ◽  
Roland Zagler
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Bond Length ◽  
Single Crystals ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstract Single crystals of the ternary com pounds Na5InTe4 and Na5In2Te6 have been grown from the melt und have been investigated by X-ray single crystal techniques.Na5InTe4: orthorhombic, space group Pbcn; Z = 8; a = 742.7(4) pm, b = 2015.4(8) pm, c = 1773.3(6) pm; Na5In:Te6: orthorhombic, space group Cmc21; Z = 8; a = 902.1(4) pm, b = 1536.1(5) pm , c = 2356.5(6) pm.The crystal structure of Na5InTe4 contains isolated InTe4 tetrahedra (mean bond length: 278.8 pm). In the crystal structure of Na5In2Te6 InTe4 tetrahedra are connected through common vertices to "Zweiereinfach"-chains. Two neighbouring chains each are joined further to ribbons through Te -Te bridges between every second InTe4 tetrahedron.

The Structure of 1,1'-Oxalylbisisatin, a Reactive α-Oxo Imide

1987 ◽  
Vol 40 (10) ◽  
pp. 1755
Author(s):  
DS Black ◽  
N Chaichit ◽  
BM Gatehouse ◽  
GI Moss
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Structure Determination ◽  
Bond Angle ◽  
Crystal Structure Determination ◽  
Cyclic Imide ◽  
X Ray

The X-ray crystal structure determination of the reactive α-oxo imide 1,1'-oxalylbisisatin (1) is described. Bond length and bond angle details are compared with those of seven similar cyclic imide structures (2)-(8).

Kristallstruktur von Triphenylmethyliodsulfan (C6H5)3CSI [1] / Crystal Structure of Triphenylmethyliodosulfane (C6H5)3 CSI [1]

1988 ◽  
Vol 43 (4) ◽  
pp. 399-402 ◽  
Author(s):  
Rolf Minkwitz ◽  
Hans Preut ◽  
Jürgen Sawatzki
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Space Group

Abstract The crystal structure of (C6H5)3CSI is reported. It is the first structure determination of an iodine sulfane. (C6H5)3CSI crystallizes in the monoclinic space group P21/c with a - 1226.4(7) pm, b = 1398.8(18) pm, c = 941.6(8) pm, β = 96.38(8)° and Z = 4. The sulfur-iodine bond length is 240.6(4) pm corresponding to the sum of the covalent radii with 237 pm. The molecules are linked via short I···S contacts of 321.0(4) pm such that a zig-zag chain is formed.

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