Synthesis, Spectral, Valence-Bond Parameters, and Single Crystal X-ray Structural Studies on [Ni(dnpdtc)(PPh3)(NCS)] and [Ni(dnpdtc)(PPh3)(CN)]

2004 ◽  
Vol 630 (2) ◽  
pp. 301-304 ◽  
Author(s):  
B. Arul Prakasam ◽  
K. Ramalingam ◽  
G. Bocelli ◽  
R. Olla
Keyword(s):  
Single Crystal ◽  
Valence Bond ◽  
Structural Studies ◽  
X Ray

Comparative Structural Studies on Three-Coordinate Copper(I) Halide Complexes With Tertiary Phosphines. Crystal Structures of [(PPh2Mes)CuX]2 and [(PPhMes2)CuX]2 (Mes = Mesityl X = Cl, Br, I)

1992 ◽  
Vol 45 (7) ◽  
pp. 1155 ◽  
Author(s):  
GA Bowmaker ◽  
D Camp ◽  
RD Hart ◽  
PC Healy ◽  
BW Skelton ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Copper Atom ◽  
Structural Studies ◽  
Coordination Environment ◽  
X Ray ◽  
Tertiary Phosphines ◽  
Structure Determinations ◽  
Halide Complexes ◽  
The Subject

The 1 : 1 complexes of the substituted triphenylphosphine ligands mesityldiphenylphosphine and dimesitylphenylphosphine with copper(1) chloride, bromide and iodide have been the subject of single-crystal X-ray structure determinations at 295 K. All six complexes crystallize as air-stable dimeric molecules, [(PPh2Mes)CuX]2 and [ (PPhMes2)CUX]2 with each copper atom in a distorted trigonal PCuX2. coordination environment. Crystals of [(PPh2Mes)CuCl]2 (1) are monoclinic, P21/n, a 9.961(3), b 18.687(6), c 11.009(7) Ǻ, β 114.63(4)°; R was 0.049 for 2450 'observed' reflections. [(PPh2Mes)CuBrI2 (2) is monoclinic, P21/n, a 9.939(2), b 18.832(6), c 11.238(6) Ǻ, β 115.36(3)°; R was 0.046 for 1803 'observed' reflections. [(PPh2Mes)CuI]2.4/3 C6H6 (3) is rhornbohedral, R3, a 36.877(8), c 9.047(5) A; R was 0.039 for 2537 'observed' reflections. Crystals of [(PPhMes2)CuCl]2.2MeCN (4) are triclinic, Pi, a 15.783(7), b 9.570(4), c 8.914(4) Ǻ, α 72.43(3), β 76.37(3), γ 74.03(3)°; R was 0.045 for 3341 'observed' reflections. [(PPhMes2)CuBr]2.3C6H6 (5) is monoclinic, C2/c, a 9.694(6), b 30.15(2), c 20.66(2) Ǻ, β 98.00(7)°; R was 0.047 for 2117 'observed' reflections. [(PPhMes2)CuI]2.2MeCN (6) is orthorhombic, PP1nb, a 11.694(8), b 14.77(1), c 29.76(3) Ǻ; R was 0.049 for 3447 'observed' reflections. Cu-P bond lengths are: 2.196(2) A (1); 2.198(3) Ǻ (2); 2.222(5) and 2.226(5) Ǻ (3); 2.202(1) Ǻ (4); 2.197(3) A (5); 2.201(4) and 2.264(5) Ǻ (6). The geometries of the LCuX2 and CuX2Cu units are compared with data reported for other monomeric and dimeric compounds for both phosphorus- and nitrogen-based ligands L.

Optical, electrical, and X-ray-structural studies on Verneuil-grown SrTiO3 single crystal: Annealing study

2007 ◽  
Vol 401-402 ◽  
pp. 433-436 ◽  
Author(s):  
S. Mochizuki ◽  
F. Fujishiro ◽  
K. Shibata ◽  
A. Ogi ◽  
T. Konya ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structural Studies ◽  
X Ray ◽  
Annealing Study

Iron(II) and Nickel(II) Complexes of 2,6-Di(Thiazol-4-Yl)Pyridine and Related Ligands: Magnetic, Spectral and Structural Studies

1986 ◽  
Vol 39 (2) ◽  
pp. 209 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin
Keyword(s):  
Solid State ◽  
Metal Complexes ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Structural Parameters ◽  
Complex Cation ◽  
Magnetic Behaviour ◽  
Structural Studies ◽  
Thermally Induced ◽  
X Ray

2,6-Di(thiazol-4-yl)pyridine (1a), 2,6-di(2-methylthiazol-4-yl)pyridine (1b) and 2,6-di(2-phenylthiazol-4-yl)pyridine (1c) have been prepared by Hantzsch syntheses from 2,6-di(ω- bromoacetyl )pyridine and the appropriate thioamide. Bis ( ligand ) iron(II) and nickel(II) complexes of (1a) and (1b) have been prepared but no metal complexes of (1c) were isolated. The bis ( ligand ) iron(II) complexes of (1a) are low-spin whereas those of (1b) undergo thermally induced spin-transitions, both in the solid state and solution. The field strengths of the ligands , determined from the spectra of their nickel(II) complexes, correlate well with the observed magnetic behaviour of their iron(II) complexes. The structure of [FeL2][ClO4]2.H2O, L = (1a), was determined by single-crystal X-ray diffractometry . The complex cation has the meridional configuration with the ligand functioning as an approximately planar tridentate. The structural parameters relating to the Fe-N6 coordination sphere are remarkably similar to those found for bis (2,2′:6′, 2′- terpyridine )iron(II) bis ( perchlorate ) monohydrate.

The vanadate garnet Ca2NaCd2V3O12: a single-crystal X-ray diffraction study

2018 ◽  
Vol 74 (4) ◽  
pp. 460-464 ◽  
Author(s):  
Makoto Tokuda ◽  
Akira Yoshiasa ◽  
Tsutomu Mashimo ◽  
Kazuake Iishi ◽  
Akihiko Nakatsuka
Keyword(s):  
Single Crystal ◽  
Edge Length ◽  
Geometric Constraints ◽  
Structural Studies ◽  
Floating Zone ◽  
X Ray Diffraction ◽  
Zone Method ◽  
X Ray ◽  
Atomic Coordinates ◽  
Shared Edge

Single crystals of the vanadate garnet Ca2NaCd2V3O12 (dicalcium sodium dicadmium trivanadate) were synthesized using the floating-zone method and the crystal structure was investigated using single-crystal X-ray diffraction. We considered the effectiveness of substitution of the Y-site cation with reference to previous structural studies of vanadate garnets. The structures of vanadate garnets are subject to geometric constraints similar to those of silicate garnets. These constraints force the tetrahedral–dodecahedral shared edge length in vanadate garnets to become shorter than the unshared dodecahedral edge length, as in ugrandite (uvarovite, grossular and andradite) garnets. However, the vanadate garnet Ca2NaCd2V3O12 exhibits the normal structural feature, similar to pyralspite (pyrope, almandine and spessartine) garnets, namely that the dodecahedral–dodecahedral shared edge length is shorter than the unshared dodecahedral edge length. With increasing ionic radius of the Y-site cation, the atomic coordinates x, y and z of oxygen adopt values which satisfy Pauling's third rule.

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