The Crystal Structure of Caesium Oxotetrafluorovanadate(V)

1972 ◽  
Vol 50 (22) ◽  
pp. 3700-3705 ◽  
Author(s):  
G. W. Bushnell ◽  
K. C. Moss
Keyword(s):  
Crystal Structure ◽  
Chain Structure ◽  
Vanadium Atom ◽  
Tetragonal Pyramid ◽  
Space Group ◽  
Bond Lengths ◽  
Structural Relationships ◽  
Cell Dimensions ◽  
R Value ◽  
Anionic Chain

The crystal structure of caesium oxotetrafluorovanadate(V) has been solved and refined to an R-value of 0.070 using diffractometer measurements. The cell dimensions are: a = 548.4(2) pm, b = 634.2(2) pm, c = 1403.4(3) pm. The space group is Pnma (No. 62) with four formula units per cell. Each vanadium atom lies 32.6 pm above the base of a tetragonal pyramid with oxygen at the apex (V=O length = 152.9 pm) and fluorine at the four base corners (mean V—F length = 178.8 pm). The tetragonal pyramids are linked by cis-fluorine bridges involving a long V—F bond (V—F(21) = 231.2 pm) to give an anionic chain structure. Structural relationships with other fluorides and oxide-fluorides are noted, and the bond lengths are discussed.

Refinement of the structure of Mg2As2O7

1970 ◽  
Vol 48 (6) ◽  
pp. 890-894 ◽  
Author(s):  
C. Calvo ◽  
K. Neelakantan
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Least Squares ◽  
Unit Cell ◽  
Full Matrix ◽  
Space Group ◽  
Cell Dimensions ◽  
Central Oxygen ◽  
R Value ◽  
Unit Cell Dimensions

The crystal structure of Mg2As2O7 has been refined by full matrix least squares procedures using 587 observed reflections. The structure of Mg2As2O7 is of the thortveitite type, as reported by Łukaszewicz, with space group C2/m and unit cell dimensions a = 6.567(2) Å, b = 8.524(4) Å, c = 4.739(1) Å, β = 103.8(1)°, and Z = 2. The As—O—As group in the anion appears to be linear but the central oxygen atom undergoes considerable disorder in the plane perpendicular to this group. The AsO bond distances uncorrected for thermal motion are 1.67 Å for the As—O(—As) bond and 1.66 and 1.65 Å for the terminal As—O bonds. The final R value obtained is 0.088.

Synthese und Kristallstruktur von [Hg2(p-SC6H4NO2)]NO3 / Synthesis and Crystal Structure of [Hg2(p-SC6H4NO2)]NO3

1990 ◽  
Vol 45 (8) ◽  
pp. 1193-1196 ◽  
Author(s):  
Klaus Brodersen ◽  
Axel Knörr
Keyword(s):  
Crystal Structure ◽  
Chain Structure ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Nitrate Ions ◽  
R Value ◽  
A Chain

[Hg2(p-SC6H4NO2)]NO3 is formed by the reaction of p-nitrothiophenol with dimercury(I)-dinitrate in methanol. It crystallizes in the monoclinic space group P21/n with a = 1175.5(9) pm, b = 1079.8(8) pm, c = 876.2(8) pm, β = 110.74(4)° and Z = 4. The crystal structure has been determined by X-ray diffraction and refined to an R-value of 0.052. The results show that the compound exists as a chain structure of [—®S(C6H4NO2)— Hg— Hg—]n with nitrate ions connecting the chains.

Crystal Structure of Tetraethylammonium Bromopentacarbonyltungstate(0)

1995 ◽  
Vol 48 (5) ◽  
pp. 1045 ◽  
Author(s):  
T Whyte ◽  
GA Williams
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
X Ray Diffraction ◽  
Full Matrix ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
R Value

The crystal structure of tetraethylammonium bromopentacarbonyltungstate (0), [NEt4] [W(CO)5Br], has been determined by single-crystal X-ray diffraction methods at 22�1°C. Crystals are tetragonal, space group P4/n, with a 9.206(2), c 10.484(2) Ǻ, and Z 2. Full-matrix least-squares refinement gave a final R value of 0.034 for 820 independent reflections. The [W(CO)5Br]- anion possesses exact C4v symmetry, with bond lengths W-Br 2.736(1), W-COtrans 1.93(1) and W-COcis 2.034(6) Ǻ.

Crystallographic studies on neuroleptics of the benzocycloheptapyridoisoquinoline series. The crystal structure of butaclamol hydrobromide and the absolute configuration and crystal structure of dexclamol hydrobromide

1976 ◽  
Vol 54 (17) ◽  
pp. 2715-2722 ◽  
Author(s):  
P. H. Bird ◽  
F. T. Bruderlein ◽  
L. G. Humber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Atom ◽  
Membered Ring ◽  
Axial Position ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Space Group ◽  
Cell Dimensions ◽  
R Value ◽  
Hydroxy Groups

The compound butaclamol hydrobromide crystallizes in space group P21/c with cell dimensions; a = 14.38(3), b = 13.31(3), c = 12.07(3) Å, β = 101.64(8)°. The structure was solved by Patterson methods and non-hydrogen atoms have been refined isotropically using a full-matrix least-squares to an R value of 0.17 for 779 observed reflections.The compound dexclamol hydrobromide crystallizes in space group P212121 with a = 8.412(2), b = 24.392(7), c = 10.465(2) Å. Refinement of non-hydrogen atoms using isotropic thermal parameters and rigid aromatic rings converted at R = 0.090 using 1249 observed reflections, for the preferred enantiomorph, and R = 0.099 for the other enantiomorph.Both compounds have their hydroxy groups in the axial position, and both adopt conformations of the seven membered ring such that the C13b hydrogen atom experiences a flagpolebowsprit interaction with a hydrogen atom of C9.

Polysulfonylamine, XXXI. Kristallstruktur von (1-Trichlormethylthio- 4-dimethylaminopyridinium)dimesylamid bei -95 °C / Polysulfonylamines, XXXI. Crystal Structure of 1-Trichloromethylthio- 4-dimethylaminopyridinium Dimesylamide at -95 °C

1992 ◽  
Vol 47 (3) ◽  
pp. 441-444 ◽  
Author(s):  
Peter G. Jones ◽  
Martina Näveke ◽  
Armand Blaschette
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Solid State ◽  
Bond Length ◽  
Title Compound ◽  
Ring Plane ◽  
Dimethylamino Group ◽  
Space Group ◽  
Bond Lengths ◽  
R Value

Abstract The crystal structure of the title compound was determined at -9 5 °C. It crystallizes in space group P1̄ with a = 577.5(3), b = 820.2(3), c = 1916.6(8) pm, α = 83.34(2), β = 82.83(2), γ = 83.61(2)° and Z = 2. The final R value was 0.034 for 3019 unique observed reflections. The presence of aggregates of four ions (two cations and two an­ ions) in the solid state is observed, with short cat-ion-anion contacts SII ⋯ O (290 pm) and Cl ⋯ O (298 pm). The bond lengths of the 4-dimethylaminopyridinium moiety of the cation suggest a semiquinoid resonance form with a double bond to the nitrogen of the dimethylamino group and two localized double bonds in the ring. The ring, the dimethylamino group (except H atoms) and the Sn atom are coplanar. The SII -N bond length is 170.3 pm, the N -SII -C angle 99.6°. The SII -C bond is approximately perpendicular to the ring plane.

scholarly journals The Crystal Structure of bis-(μ-N-ethyl-Nphenyldithiocarbamato- S,S’)-bis[(N-ethyl-Nphenyldithiocarbamato- κ2S,S’)zinc(II)]

2021 ◽  
Author(s):  
Robert A Gossage ◽  
Hilary A Jenkins
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Unit Cell ◽  
Secondary Amines ◽  
Triclinic Crystal System ◽  
Space Group ◽  
Crystal System ◽  
Cell Dimensions ◽  
R Value ◽  
Unit Cell Dimensions

The title material crystallises in the triclinic crystal system in space group P-1 with Z = 2. The unit cell dimensions are a = 8.7365(6)Å, b = 10.6009(7)Å, c = 12.0210(8)Å with α = 66.343(1)°, β = 79.566(1)°, γ = 83.150(1)° and V = 1001.6(1)Å3. The final R value is 0.0307 (3905 observed reflections: I >2σ(I)). The compound is best described as a species in which each metal atom is coordinated to two dithiocarbamato groups, one of which forms a secondary bridging interaction (through a S-atom) to a second [Zn(S2CNEtPh)2] unit. Thus, the title material is in the form of a dimeric aggregate. This complex is compared to related materials which contain N-atoms within the dithiocarbamato ligand that are derived from secondary amines containing two different organic functionalities.

scholarly journals The Crystal Structure of bis-(μ-N-ethyl-Nphenyldithiocarbamato- S,S’)-bis[(N-ethyl-Nphenyldithiocarbamato- κ2S,S’)zinc(II)]

2021 ◽  
Author(s):  
Robert A Gossage ◽  
Hilary A Jenkins
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Unit Cell ◽  
Secondary Amines ◽  
Triclinic Crystal System ◽  
Space Group ◽  
Crystal System ◽  
Cell Dimensions ◽  
R Value ◽  
Unit Cell Dimensions

The title material crystallises in the triclinic crystal system in space group P-1 with Z = 2. The unit cell dimensions are a = 8.7365(6)Å, b = 10.6009(7)Å, c = 12.0210(8)Å with α = 66.343(1)°, β = 79.566(1)°, γ = 83.150(1)° and V = 1001.6(1)Å3. The final R value is 0.0307 (3905 observed reflections: I >2σ(I)). The compound is best described as a species in which each metal atom is coordinated to two dithiocarbamato groups, one of which forms a secondary bridging interaction (through a S-atom) to a second [Zn(S2CNEtPh)2] unit. Thus, the title material is in the form of a dimeric aggregate. This complex is compared to related materials which contain N-atoms within the dithiocarbamato ligand that are derived from secondary amines containing two different organic functionalities.

Synthese und Kristallstruktur des Phosphaniminatokomplexes [MoCl4(NPPh3)(Pyridin)] · CH2Cl2/ Synthesis and Crystal Structure of the Phosphaneiminato Complex [MoCl4(NPPh3)(pyridine)] · CH2Cl2

1987 ◽  
Vol 42 (8) ◽  
pp. 947-950 ◽  
Author(s):  
Karin Völp ◽  
Frank Weller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Unit Cell ◽  
Pyridine Molecule ◽  
Trans Position ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Bond Lengths ◽  
Cell Dimensions ◽  
In Trans ◽  
Moisture Sensitive

Abstract[MoCl4(NPPh3)(pyridine)] · CH2Cl2 is formed by the reaction of the cyclothiazeno complex [MoCl3(N3S2) · (pyridine)] with triphenylphosphane in CH2Cl2 solution. It forms red, moisture sensitive needles. [MoCl4(NPPh3)(C5H5N)] · CH2Cl2 crystallizes monoclinically in the space group P21/n with four formula units per unit cell (1934 independent observed reflexions. R = 0.057). The cell dimensions are a = 1165, b = 1473, c = 1696 pm; β = 107.82°. The Mo atom is coordinated by four chlorine atoms, by the N atom of the (NPPh3-) ligand, and in trans-position to it by the N atom of the pyridine molecule. The Mo= N = PPh3 group has a nearly linear MoNP axis (176.6°) with bond lengths of MoN = 172 pm and PN = 165 pm.

Phosphaniminatokomplexe von Molybdän(V). Die Kristallstruktur von [MoCl4(NPPh3)]2 / Phosphaneiminato Complexes of Molybdenum(V). The Crystal Structure of [MoCl4(NPPh3)]2

1987 ◽  
Vol 42 (12) ◽  
pp. 1563-1566 ◽  
Author(s):  
Klaus Hosier ◽  
Frank Weller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Bond Angle ◽  
Unit Cell ◽  
Formula Unit ◽  
Double Bonds ◽  
Centrosymmetric Dimer ◽  
Space Group ◽  
Bond Lengths ◽  
Cell Dimensions

Abstract[MoCl4(NPPh3)]2 is prepared by the reaction of Mo2Cl10 with Ph3PNSiMe3 in boiling CH2Cl2 as brown paramagnetic (μeff = 1.72 B.M. at 20 °C) crystals, which contain ~2 mol CH2Cl2 per formula unit. With PPh4Cl the yellow complex PPh4[MoCI3(NPPh3)] · CH2Cl2 is formed. The IR spectra are recorded and discussed. [MoCl4(NPPh3)]2 crystallizes monoclinically in the space group P21/n with two formula units per unit cell (3146 observed independent reflexions, R = 0.046). The cell dimensions are a = 981.6; b = 1401.7; c = 1743.1 pm; β = 101.15°. The complex is centrosymmetric dimer showing MoCl2Mo bridges with Mo-Cl bond lengths of 244 and 278 pm. respectively. The Mo=N = P axis is nearly linear (bond angle 168.5°) with bond lengths MoN = 172 pm and PN = 166 pm. which correspond to double bonds.

Crystal Structure of the Glaserite Form of BaNaPO4

1975 ◽  
Vol 53 (12) ◽  
pp. 1849-1853 ◽  
Author(s):  
Crispin Calvo ◽  
Romolo Faggiani
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Least Squares ◽  
Coordination Number ◽  
Cation Site ◽  
Full Matrix ◽  
Space Group ◽  
Bond Lengths ◽  
R Value ◽  
Cation Sites

Crystals of BaNaPO4 were grown from a Ba3P2O8–Na2B4O7 melt. The crystals are trigonal, space group [Formula: see text]with a = 5.622(4) and c = 7.259(5) Å. The structure, isotypic with that of glaserite, was refined by full-matrix least-squares methods to a final R value of 0.042 using 218 unique reflections. There are three different cation sites. Na and Ba lie at sites of [Formula: see text] symmetry and are coordinated to 6 and 12 oxygen atoms respectively. The Na—O bond lengths are 2.344(7) Å and the two unique Ba—O bond lengths are 2.788(7) and 3.247(9) Å. The remaining cation site has 3m symmetry, a coordination number of 10, and contains equal amounts of Na+ and Ba2+. The bond lengths range from 2.548(12) to 3.017(7) Å. The phosphate group also has 3m symmetry with mean P—O bond lengths of 1.538 Å. The underbonded apical P—O bond length is 1.520 Å.

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