Spectroscopic, thermal, magnetic and structural characterization of K3VF6 prepared at room temperature

Polyhedron ◽  
2011 ◽  
Vol 30 (8) ◽  
pp. 1425-1429 ◽  
Author(s):  
R. Nagarajan ◽  
Neetu Tyagi ◽  
Samuel Lofland ◽  
K.V. Ramanujachary
Keyword(s):  
Structural Characterization ◽  
Room Temperature

Structural Systematics of Rare Earth Complexes. VII. Crystal Structure of Bis(2,2'/6',2␛-Terpyridinium) Octaaquaterbium(III) Heptachloride Hydrate

1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Structural Characterization ◽  
Title Compound ◽  
Room Temperature ◽  
Chloride Ions ◽  
Full Matrix ◽  
X Ray

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.

Structural Characterization of a Cage Ligand Fragmentation Reaction

1994 ◽  
Vol 47 (1) ◽  
pp. 181 ◽  
Author(s):  
JM Harrowfield ◽  
AM Sargeson ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Room Temperature ◽  
Fragmentation Reaction ◽  
X Ray ◽  
Nitrogen Donor ◽  
Crystal Structural

The room temperature X-ray single-crystal structural characterization of a protonated copper(II) complex of a ligand artefact, L′, of L = N-Me6sar (described in an accompanying paper) is recorded, the new ligand L′ being generated formally by elimination of a CH2CH2 bridge between a pair of nitrogen donor atoms of L. The complex, [ ClCu (H2L′) (ClO4)3.2H2O, is orthorhombic, Pccn , a 22.528(7), b 10.544(3), c 13.748(6) Ǻ, Z = 4 formula units, R being 0.053 for 1133 independent 'observed' [I > 3σ(I)] reflections. The cation, containing five-coordinate square-pyramidal ClCuN4 copper, is disposed with the Cu- Cl bond [2.458(3)Ǻ] lying on a crystallographic 2 axis; Cu-N distances are 2.094(8) and 2.093(8)Ǻ.

Disorder at the Chiral Cα Center and Room-Temperature Solid-State cis–trans Isomerization; Synthesis and Structural Characterization of Copper(II) Complexes with d-allo,l-Isoleucine

2018 ◽  
Vol 18 (9) ◽  
pp. 5138-5154 ◽  
Author(s):  
Jelena Pejić ◽  
Darko Vušak ◽  
Gábor Szalontai ◽  
Biserka Prugovečki ◽  
Draginja Mrvoš-Sermek ◽  
...  
Keyword(s):  
Solid State ◽  
Structural Characterization ◽  
Room Temperature ◽  
Trans Isomerization

Single Crystal X-Ray Structural Characterization of [BiX2(S2CNEt2)]Infinity∞, X=Cl, Br

1994 ◽  
Vol 47 (2) ◽  
pp. 405 ◽  
Author(s):  
PK Bharadwaj ◽  
AM Lee ◽  
BW Skelton ◽  
BR Srinivasan ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Sulfur Atom ◽  
Structural Characterization ◽  
Structure Determination ◽  
Room Temperature ◽  
X Ray ◽  
Structure Determinations

Single-crystal room-temperature X-ray structure determinations of the title compounds have been carried out. The two compounds are isomorphous, and isomorphous with the previously determined iodide analogue, being monoclinic, P 21/c, a ≈ 10.0, b ≈ 14.9, c ≈ 7.8 Ǻ, β ≈ 92°, Z = 4 formula units; residuals were 0.037, 0.036 for 2197, 1654 'observed' reflections for X = Cl , Br respectively. As in the iodide, the complexes are infinite polymers, with successive bismuth atoms bridged by the two halides and one sulfur atom of the ligand , which also chelates each bismuth. The structure determination of C5H5NCONEt2]2 [Cl5Bi(NC5H5)], isostructural with its thiocarbamoyl analogue, is also recorded.

Metal Ion Binding to Calixarenes: Pendent Arm Coordination Assisted by Self-Inclusion

1994 ◽  
Vol 47 (6) ◽  
pp. 1185 ◽  
Author(s):  
JM Harrowfield ◽  
M Mocerino ◽  
BW Skelton ◽  
CR Whitaker ◽  
AH White
Keyword(s):  
Structural Characterization ◽  
Metal Ion ◽  
Room Temperature ◽  
Ion Binding ◽  
Metal Ion Binding ◽  
Cone Conformation ◽  
X Ray ◽  
Partial Cone ◽  
Arm Coordination

The synthesis and room-temperature single-crystal X-ray structural characterization of 25,27- di(allyloxy)-5,17-di-t-butyl-26,28-dimethoxycalix[4]arene are recorded. Crystals are monoclinic, C2/c, a 29.089(5), b 10.742(2), c 26.218(8) Ǻ, β 110.09(2)°, Z = 8; the structure was refined to a residual of 0.065 for 4103 independent 'observed' [I > 3σ(I)] reflections. The flattened partial cone conformation of the molecule allows inclusion of one of the methoxy substituents in a way which could block inclusion of a metal ion capable of polyhapto aromatic coordination and which may therefore explain why solution n.m.r. measurements indicate that silver(I) binds to the pendent alkene groups.

Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides

1997 ◽  
Vol 53 (3) ◽  
pp. 504-512 ◽  
Author(s):  
A. Martin ◽  
A. A. Pinkerton ◽  
R. D. Gilardi ◽  
J. C. Bottaro
Keyword(s):  
Hydrogen Bonding ◽  
Structural Characterization ◽  
Diffraction Data ◽  
Energetic Materials ◽  
Room Temperature ◽  
Asymmetric Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths

Three biguanidinium salts of the energetic dinitramide anion have been prepared and structurally characterized from room-temperature X-ray diffraction data. Biguanidinium mono-dinitramide, (BIGH)(DN), triclinic, P\overline 1, a = 4.3686 (4), b = 9.404 (2), c = 10.742 (1) Å, \alpha = 83.54 (1), \beta = 80.386 (9), \gamma = 79.93 (1)°, V = 426.8 (1) Å3, Z = 2, D x = 1.62 g cm−3. Biguanidinium bis-dinitramide, (BIGH2)(DN)2, monoclinic, C2/c, a = 11.892 (2), b = 8.131 (1), c = 13.038 (2) Å, \beta = 115.79 (1)°, V = 1135.1 (3) Å3, Z = 4, D x = 1.84 g cm−3. Biguanidinium bis-dinitramide monohydrate, (BIGH2)(DN)2.H2O, orthorhombic, P212121, a = 6.4201 (6), b = 13.408 (1), c = 14.584 (2) Å, V = 1255.4 (4) Å3, Z = 4, D x = 1.76 g cm−3. All three structures are characterized by extensive hydrogen bonding. Both the mono- and diprotontated cations consist of two planar halves twisted with respect to each other. The dinitramide anion has a surprisingly variable and asymmetric structure. The two halves of the anion are twisted with respect to each other; however, the twist varies from 5.1 to 28.9°. In addition, the two ends of the anion have significantly different geometries, e.g. the `equivalent' N—N bond lengths differ by up to 0.045 Å.

Mixed Transition Metal/Lanthanide Complexes: Structural Characterization of Solids Containing Cage Amine Chromium(III) Cations and Tris(dipicolinato)lanthanide Anions

1995 ◽  
Vol 48 (4) ◽  
pp. 807 ◽  
Author(s):  
JM Harrowfield ◽  
Y Kim ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Transition Metal ◽  
Crystal Lattice ◽  
Structural Characterization ◽  
Lanthanide Complexes ◽  
Room Temperature ◽  
X Ray ◽  
Structure Determinations ◽  
Full Structure ◽  
Mixed Transition

As the foundation to a survey of interactions between chromium(III) and lanthanide(III) ions within the same crystal lattice, a series of complexes of stoichiometry [Cr((NH2)2sar)]- [ Ln ( dipic )3].8H2O (sar = 3,6,10,13,16,19-hexaazabicyclo[6.6.6] icosane, Ln = La-Lu plus Y, dipic = pyridine-2,6-dicarboxylate) has been synthesized and structurally characterized by room-temperature single-crystal X-ray studies. An isomorphous series is found for all Ln, being triclinic, Pī , a ≈ 18.1, b ≈ 13.3, c ≈ 11 Ǻ, α ≈ 111.5, β ≈ 96.2, γ ≈ 109.2°, Z = 2 formula units, full structure determinations being recorded for Ln = La (conventional R 0.048 on |F| for No 6494 independent 'observed' [I > 3σ(I)] reflections at convergence), Ce (R 0.036 for No 8980) and Lu (R 0.046 for No 6791). A less well defined protonated series, with a 2:3 Cr/ Ln ratio, has also been characterized specifically for Ln = La [orthorhombic, Pbca , a 26.223(8), b 53.17(3), c 18.329(9) Ǻ, Z = 8; R 0.092 for No 5104], the lutetium analogue having a similar cell.

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