The first pseudo-ternary thiocyanate containing two alkali metals – synthesis and single-crystal structure of LiK2[SCN]3

2016 ◽  
Vol 71 (2) ◽  
pp. 161-164 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Alkali Metals ◽  
Single Crystal Structure ◽  
Rectangular Plates ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

AbstractA procedure was empirically developed to prepare the compound LiK2[SCN]3, which forms colorless, transparent, very fragile, and extremely hygroscopic thin rectangular plates. Its unique crystal structure was determined by single-crystal X-ray diffraction. LiK2[SCN]3 adopts the orthorhombic space group Pna21 (no. 33, Z = 4) with the cell parameters a = 1209.32(9), b = 950.85(9), and c = 849.95(6) pm.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

Reactions between Co(II), 1,2-bis(diphenylphosphino)ethane, and NaBH3CN in the presence and absence of CO. The crystal structure of bis(cyanotrihydroborato)tetrakis(N,N-dimethylformamide)cobalt(II)

1988 ◽  
Vol 66 (7) ◽  
pp. 1770-1775 ◽  
Author(s):  
David J. Elliot ◽  
Sanna Haukilahti ◽  
David G. Holah ◽  
Alan N. Hughes ◽  
Stanislaw Maciaszek ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
R Factor

Reactions between Co(II), Diphos, and NaBH3CN lead to Co(BH3CN)2(Diphos)2, 1, or [Co(BH3CN)(Diphos)2]X, 2 (X = ClO4 or BPh4), and, in certain solvents, 2 reacts to produce [Co(CN)(Diphos)2](ClO4). Compound 1 can be reversibly converted to Co(BH3CN)2(DMF)4, 4, via Co(BH3CN)2(Diphos)(DMF). In addition, 1 reacts with CO to form the Co(I) and Co(III) compounds [Co(Diphos)2](CO)]X and [Co(Diphos)2(CN)2]X (X = BH3CN or BPh4). Single crystal X-ray diffraction studies of 4 show that the compound crystallizes in the triclinic space group [Formula: see text], with unit cell parameters a = 7.572(6), b = 9.695(6), c = 9.395(6) Å, α = 81.06(4), β = 68.46(5), γ = 68.19(5)°, V = 595.5 Å3, Z = 1, and dcalcd = 1.202 g cm−3. The structure converged to a conventional R factor of 0.040 for 2841 observations and showed an octahedral arrangement of four O atoms from DMF molecules and two trans N-bound BH3CN groups around the Co(II) center.

Die Kristallstruktur von [Ca(N3)2(H2O)2] · C6H14N4 bei 100 K /The Crystal Structure of [Ca(N3)2(H2O)2] · C6H14N4 at 100 K

1989 ◽  
Vol 44 (2) ◽  
pp. 135-138 ◽  
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstract The crystal structure of calcium azide dihydrate trans-bicyclo-[4.4.0]-1,4,6.9-tetraazadecane has been determined by single crystal X-ray diffraction at 100 K. [Ca(N3)2(H2O)2 (C6H14N4 crystallizes in the orthorhombic space group Pnma, Z = 4. with a - 1396.6(5), b = 1407.1(5), c = 712.2(2) pm. Calcium is hexacoordinated to four azide groups and two water molecules. The elongated octahedra are linked via μ(1,3)-bridging azide ions to form monolayers parallel to the ac-plane. The C6H14N4 molecules are arranged between these layers.

Crystal Structure of Dibromo(η4-1,5-cyclooctadiene)palladium(II)

1996 ◽  
Vol 61 (9) ◽  
pp. 1335-1341 ◽  
Author(s):  
Petr Štěpnička ◽  
Ivana Císařová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Square Planar ◽  
Twisted Boat

The crystal structure of [(η4-C8H12)PdBr2] has been determined by a single crystal X-ray diffraction with R = 3.82% for 2 147 independent diffractions. The compound crystallizes with the symmetry of orthorhombic space group P212121 (No. 19) within the following parameters: a = 7.0785(5) Å, b = 11.1896(9) Å, c = 12.514(1) Å, V = 991.2(1) Å3, Z = 4. The square planar arrangement of ligands around Pd(II) is distorted due to the steric requirements of 1,5-cyclooctadiene in a twisted boat conformation. Formula units are joined by the weak C2-H2...Br1(1 + x, y, z) hydrogen bonds.

Single-Crystal Structures and Vibrational Spectra of Li[SCN] and Li[SCN] · 2H2O

2014 ◽  
Vol 69 (1) ◽  
pp. 17-24 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Björn Blaschkowski ◽  
Thomas Schleid ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Water Molecules ◽  
Infrared And Raman Spectra ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Single Crystal Structures

The crystal structure of Li[SCN] · 2 H2O has been determined by single-crystal X-ray diffraction on commercially available material. Crystals of this compound are colorless, transparent and hygroscopic. Li[SCN] · 2H2O adopts the orthorhombic space group Pnma with the cell parameters a = 572.1(3), b = 809.3(4) and c = 966.9(4) pm and Z = 4. Li[SCN] was obtained by dehydration of the afore-mentioned dihydrate and also crystallizes orthorhombically in Pnma with the lattice parameters a = 1215.1(3), b = 373.6(1) and c = 529:9(2) pm (Z = 4). Both compounds contain Li+ cations in sixfold coordination. Four water molecules and two nitrogen-attached thiocyanate anions [SCN]- arrange as trans-octahedra [Li(OH2)4(NCS)2]- in the case of Li[SCN] · 2 H2O. Anhydrous Li[SCN] displays fac-octahedra [Li(NCS)3(SCN)3]5- with six thiocyanate anions grafting via both nitrogen and sulfur atoms, three each. Infrared and Raman spectra of both compounds were recorded and a DSC=TG measurement was performed on Li[SCN] · 2 H2O.

Die Kristallstruktur von [Mg(H2O)6](N3)2 / The Crystal Structure of [Mg(H2O)6](N3)2

1986 ◽  
Vol 41 (8) ◽  
pp. 935-937 ◽  
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Single Crystal ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Metal Atoms

Abstract The crystal structure of [Mg(H2O)6](N3)2 was determined by single crystal X-ray diffraction (421 independent observed MoKα-counter reflections. R = 0.037). The crystals are orthorhombic, space group Fmmm, Z = 4, a = 644.3(1), b = 1134.4(1), c = 1333.5(3) pm. The magnesium atoms are octahedrally coordinated to six oxygen atom s of water molecules, the azide groups are not coordinated to metal atoms, N -N = 117.0(2) pm.

Darstellung und Kristallstruktur von Bis(triphenylphosphin)-decahydro-hypho-hexaboran [(PPh3)2B6H10]·CH2Cl2 / Synthesis and Crystal Structure of Bis(triphenylphosphine)-decahydro-hypho-hexaborane[( PPh3)2B6H10]CH2Cl2

1998 ◽  
Vol 53 (11) ◽  
pp. 1326-1328 ◽  
Author(s):  
T. Schaper ◽  
W. Preetz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

By reaction of [B6H6]2- with (PPh3)3AgCl in dichloromethane the belt-shaped hypho-hexaborane adduct [(PPh3)2B6H10] is formed. The crystal structure of [(PPh3)2B6H10]·CH2Cl2 has been determined by single crystal X-ray diffraction analysis: orthorhombic, space group Pbnb with a = 9.804(3), b = 17.864(4), c = 21.334(2) Å, Z = 4.

Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN)2]2 (A = K or Rb)

2016 ◽  
Vol 71 (2) ◽  
pp. 157-160 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Single Crystal ◽  
Title Compound ◽  
Single Crystal Structure ◽  
Rectangular Plates ◽  
Atmospheric Conditions ◽  
Space Group ◽  
Cell Parameters ◽  
Ternary Compounds

AbstractCrystals of LiA[N(CN)2]2 were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN)2] in water and subsequent evaporation of the filtered solution at 80 °C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN)2]2 and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN)2]2. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

Structural investigation of Ba6−3xLn8+2xTi18O54 (x = 0.27, Ln = Sm) by single crystal x-ray diffraction in space group Pnma(No. 62)

1998 ◽  
Vol 13 (1) ◽  
pp. 187-196 ◽  
Author(s):  
C. J. Rawn ◽  
D. P. Birnie ◽  
M. A. Bruck ◽  
J. H. Enemark ◽  
R. S. Roth
Keyword(s):  
Single Crystal ◽  
Structural Investigation ◽  
Thermal Parameters ◽  
Short Axis ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Single crystals of barium samarium titanium oxide Ba6−3xSm8+2xTi18O54 (x = 0.27) have been synthesized and studied using x-ray diffraction. Superstructure reflections, which cause a doubling of the cell along the short axis, were taken into account and the refinement was conducted in the orthorhombic space group Pnma. Unit cell parameters from single crystal x-ray diffraction were a = 22.289(1), b = 7.642(1), and c = 12.133(1) Å. Refinement on F resulted in R1 = 5.37% for 1410 Fo > 4σ with the thermal parameters of the Sm and Ba atoms refined anisotropically and the thermal parameters of the Ti and O atoms refined isotropically. The structure is made up of a network of corner sharing TiO6−2 octahedra creating rhombic (perovskite-like) and pentagonal channels. The two pentagonal channels are fully occupied by Ba atoms. The refinement suggests that one rhombic channel is fully occupied by Sm atoms (Sm3/Sm4), one rhombic channel is partially occupied by Sm atoms (100% Sm1/86.25% Sm5), and one rhombic channel is shared by BaySm atoms (59.25% Ba3/40.75% Sm2), resulting in a formula of Ba10.38Sm17.08Ti36O108 with Z = 1. The above site occupancies differ from the site occupancies previously reported in the literature for refinements conducted with the short axis approximately equal to 3.8 Å.

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