Powder diffraction study of some mixed ligand complexes of Mn(II), Ni(II), Cu(II), Zn(II), and Cd(II)

2011 ◽  
Vol 26 (1) ◽  
pp. 82-87
Author(s):  
Ranjana Ghose ◽  
Rajesh Kumar
Keyword(s):  
Powder Diffraction ◽  
Magnetic Measurements ◽  
Octahedral Geometry ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

The mixed ligand complexes of manganese(II), nickel(II), copper(II), zinc(II), and cadmium(II) involving aspartic acid and benzoic acid have been synthesized. The complexes were studied by various spectroscopic techniques such as infrared, electronic, X-ray diffraction, and magnetic measurements. The complexes were found to have octahedral geometry. The X-ray powder diffraction results show that the crystal systems of Mn(II)-Asp-Ben complex are hexagonal, and Ni(II)-Asp-Ben, Cu(II)-Asp-Ben, Zn(II)-Asp-Ben, and Cd(II)-Asp-Ben complexes are found to be triclinic. The value of unit-cell parameters and XRD data for the five mixed ligand complexes are reported.

Interaction of ditertiary phosphines with phenyl- and 1-naphthyldithiocarbamatonickel(II)

1985 ◽  
Vol 50 (6) ◽  
pp. 1383-1390
Author(s):  
Aref A. M. Aly ◽  
Ahmed A. Mohamed ◽  
Mahmoud A. Mousa ◽  
Mohamed El-Shabasy
Keyword(s):  
Thermal Analysis ◽  
Powder Diffraction ◽  
Spin Structure ◽  
Magnetic Measurements ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
X Ray ◽  
Square Planar

The synthesis of the following mixed ligand complexes is reported: [Ni(phdtc)2(dpm)2], [Ni(phdtc)2(dpe)2], [Ni(phdtc)2(dpp)3], [Ni(1-naphdtc)2(dpm)2], [Ni(1-naphdtc)2], and [Ni(1-naphdtc)2(dpp)2], where phdtc = PhNHCSS-, 1-naphdtc = 1-NaPhNHCSS-, dpm = Ph2PCH2PPh2, dpe = Ph2P(CH2)2PPh2, and dpp = Ph2P(CH2)3PPh2. The complexes are characterised by microanalysis, IR and UV-Vis spectra, magnetic measurements, conductivity, X-ray powder diffraction, and thermal analysis. All the mixed ligand complexes are diamagnetic, and thus a square-planar or square-pyramidal (low-spin) structure was proposed for the present complexes.

X-ray-diffraction data of Pb2(C2O4)(NO3)2·2H2O

1996 ◽  
Vol 11 (1) ◽  
pp. 7-8 ◽  
Author(s):  
Hee-Lack Choi ◽  
Nobuo Ishizawa ◽  
Naoya Enomoto ◽  
Zenbe-e Nakagawa
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Crystal System

X-ray powder-diffraction data for Pb2(C2O4)(NO3)2·2H2O were obtained. The crystal system was determined to be monoclinic. The unit-cell parameters were refined to a=10.613(2) Å, b=7.947(2) Å, c=6.189(1) Å, and β=104.48(2)°.

Synthesis and powder X-ray diffraction data of a new iron phosphate Fe(PO4)·0.5H2O

1998 ◽  
Vol 13 (4) ◽  
pp. 246-248 ◽  
Author(s):  
Nubuo Ishizawa ◽  
Atsushi Saiki ◽  
Kyoji Ohdan ◽  
Mamoru Ai
Keyword(s):  
Water Vapor ◽  
Oxalic Acid ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Iron Phosphate ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

X-ray powder-diffraction data were collected for a new iron phosphate, Fe(PO4)·0.5H2O, obtained by reducing FePO4 with oxalic acid at 220 °C in the presence of water vapor and oxygen. The crystal system was determined to be orthorhombic with unit-cell parameters a=15.991(6) Å, b=20.156(7) Å, and c=7.223(2) Å.

X-ray diffraction data of Ti2O2(C2O4)(OH)2·H2O

1994 ◽  
Vol 9 (3) ◽  
pp. 187-188 ◽  
Author(s):  
Hee-Lack Choi ◽  
Naoya Enomoto ◽  
Nobuo Ishizawa ◽  
Zenbe-e Nakagawa
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Crystal System

X-ray powder diffraction data for Ti2O2(C2O4)(OH)2·H2O were obtained. The crystal system was determined to be orthorhombic with space group C2221. The unit cell parameters were refined to a = 1.0503(2) nm, b = 1.5509(3) nm, and c = 0.9700(1) nm.

X-ray powder diffraction analysis of imipenem monohydrate

2012 ◽  
Vol 27 (1) ◽  
pp. 20-24
Author(s):  
F. Needham ◽  
C. E. Crowder ◽  
J. W. Reid ◽  
T. G. Fawcett ◽  
J. Faber
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Cell Parameters ◽  
Pharmaceutical Agent ◽  
Structural Database

An experimental X-ray powder diffraction pattern was produced and analyzed for imipenem monohydrate, an antimicrobial pharmaceutical agent. Although there are no experimental powder patterns in the ICDD PDF-4/Organics Database, there is one powder pattern calculated with single-crystal X-ray diffraction data from the Cambridge Structural Database. Here, we report the refined experimental powder diffraction data for imipenem monohydrate. These data for imipenem monohydrate are consistent with an orthorhombic crystal system having reduced unit-cell parameters of a = 8.2534(3) Å, b = 11.1293(4) Å, and c = 15.4609(6) Å. The resulting unit-cell volume, 1420.15(15) Å3, indicates four formula units per unit cell. Observed peaks are consistent with the P212121 space group.

X-ray powder diffraction data of lapatinib ditosylate monohydrate

2009 ◽  
Vol 24 (3) ◽  
pp. 250-253 ◽  
Author(s):  
Peter Varlashkin
Keyword(s):  
Breast Cancer ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Structure

The room temperature powder pattern of lapatinib ditosylate monohydrate (active ingredient in Tykerb used to treat refractory breast cancer) was indexed and the cell from the single crystal X-ray diffraction structure was refined using the experimental capillary data. Unit-cell parameters for the orthorhombic compound with space group Pbca refined from powder diffraction data are a=9.6850±0.0009 Å, b=29.364±0.003 Å, and c=30.733±0.003 Å, α=β=γ=90°, z=8, V=8740.1 Å3. Values of 2θ, d, I, and Miller indices are reported.

Synthesis and X-ray diffraction data of 1-N-(4-pyridylmethyl)amino naphthalene

2010 ◽  
Vol 25 (1) ◽  
pp. 72-74 ◽  
Author(s):  
H. A. Camargo ◽  
J. A. Henao ◽  
D. F. Amado ◽  
V. V. Kouznetsov
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

1-N-(4-pyridylmethyl)amino naphtalene was synthesized by means of a reaction of alpha-naphthylamine, 4-pyridylcarboxyaldehyde, in anhydrous ethanol to obtainN-(4-pyridylen)-alpha-naphthylamine and that was reduced with NaBH4 to produce the wanted compound. The X-ray powder diffraction pattern for the new compound 1-N-(4-pyrydylmethyl)amino naphtalene was obtained. This compound crystallizes in a monoclinic system with refined unit cell parameters a=10.375(5) Å, b=17.665(6) Å, c=5.566(2) Å, β=100.11(3), and V=1004.3(5) Å3, with space group P2/m (No. 10).

X-ray diffraction data of C16H14O4Ru2M (M=Ge,Si)

2002 ◽  
Vol 17 (1) ◽  
pp. 44-47
Author(s):  
Yu PuLan ◽  
Ding Shuang ◽  
Qiao YuanYuan ◽  
Yao XinKan ◽  
Liu Chong ◽  
...  
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Monoclinic Cell ◽  
Good Agreement

Two compounds have been studied by means of powder diffraction and their unit cell parameters are reported. The monoclinic cell parameters for dimethylgermanyl-bridged bis cyclopentadienyl tetracarbonyl diruthenium are a=11.03(2) Å, b=13.65(2) Å, c=11.609(2) Å, β=105.81(1)°, Z=4, space group P21/n (No. 14), Dx=2.135 mg/m3. The monoclinic cell parameters for λ-dimethylsilyl-dicyclopentadienyl-π, π′-tetracarbonyl diruthenium, are a=11.113(3) Å, b=13.60(1) Å, c=11.674(7) Å, and β=106.00(3)°, Z=4, space group P21/n (No. 14), and Dx=1.946 mg/m3. The cells found for the two compounds are in good agreement with those obtained from single crystal X-ray diffractometry.

Barium hollandite-type compounds BaxFe2xTi8−2xO16 with x=1.143 and 1.333

1999 ◽  
Vol 14 (1) ◽  
pp. 31-35 ◽  
Author(s):  
J. M. Loezos ◽  
T. A. Vanderah ◽  
A. R. Drews
Keyword(s):  
Phase Transition ◽  
High Temperature ◽  
Powder Diffraction ◽  
Framework Structure ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Diffraction Patterns ◽  
Acta Crystallogr

Experimental X-ray powder diffraction patterns and refined unit cell parameters for two barium hollandite-type compounds, BaxFe2xTi8−2xO16, with x=1.143 and 1.333, are reported here. Compared to the tetragonal parent structure, both compounds exhibit monoclinic distortions that increase with Ba content [Ba1.333Fe2.666Ti5.334O16: a=10.2328(8), b=2.9777(4), c=9.899(1) Å, β=91.04(1)°, V=301.58(5) Å3, Z=1, ρcalc=4.64 g/cc; Ba1.143Fe2.286Ti5.714O16: a=10.1066(6), b=2.9690(3), c=10.064(2) Å, β=90.077(6)°, V=301.98(4) Å3, Z=1, ρcalc=4.48 g/cc]. The X-ray powder patterns for both phases contain a number of broad, weak superlattice peaks attributed to ordering of the Ba2+ ions within the tunnels of the hollandite framework structure. According to the criteria developed by Cheary and Squadrito [Acta Crystallogr. B 45, 205 (1989)], the observed positions of the (0k1)/(1k0) superlattice peaks are consistent with the nominal x-values of both compounds, and the k values calculated from the corresponding d-spacings suggest that the Ba ordering within the tunnels is commensurate for x=1.333 and incommensurate for x=1.143. High-temperature X-ray diffraction data indicate that the x=1.333 compound undergoes a monoclinic→tetragonal phase transition between 310 and 360 °C.

An X-ray powder diffraction study of the spin-crossover transition and structure of bis(2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate

2004 ◽  
Vol 60 (1) ◽  
pp. 41-45 ◽  
Author(s):  
Victoria A. Money ◽  
Ivana Radosavljevic Evans ◽  
Jerome Elhaïk ◽  
Malcolm A. Halcrow ◽  
Judith A. K. Howard
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Spin Crossover ◽  
Spin Transition ◽  
High Spin State ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Crossover Transition

The crystal structure of the iron(II) spin-crossover compound [Fe(C10H8N6)2](ClO4)2 in the high-spin state has been solved from powder X-ray diffraction data using the DASH program and refined using Rietveld refinement. The thermal spin transition has been monitored by following the change in unit-cell parameters with temperature. The title compound has been found to undergo a crystallographic phase change, involving a doubling of the crystallographic a axis, on undergoing the spin transition.

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