• Korean Journal of Crystallography
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• v.8 no.2
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• pp.119-123
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• 1997

The complex [Ni(L)]I2 (1) (L:3,5,10,12-Tetramethly-1,4,8,11-tetraazacyclotetradecane) has been prepared and characterized by X-ray diffraction methods. The complex 1 crystallized in the orthorhombic system, space group Pcab with cell parameters a=13.293(1) Å, b=28.550(7) Å, c=10.804(1) Å, z=8. Least-squares refinement of 1 led to a R(Rw) factor of 0.043 (0.046) for 1851 observed reflections of Fo>3o (Fo). The crystal structure of 1 has a slightly distorted square-planar geometry and adopts the trans-III conformation.

• Korean Journal of Crystallography
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• v.13 no.2
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• pp.86-90
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• 2002

The structure of N-(Diphenylmethylene)aminomethylphosphonate has been determined by X-ray diffraction methods. The crystal system is triclinic, space group P(equation omitted), unit cell constants, a＝8.967(2) (equation omitted), b＝9.309(2) (equation omitted), c＝ 10.981(2) (equation omitted), α＝101.42(2)°, β＝92.22(2)°, γ＝92.23(2)°, V=896.8(3) (equation omitted), T＝296 K, Z＝2, D/sub c/＝1.227 Mgm/sup -3/. The intensity data were collected on an Enraf-Nonius CAD-4 Diffractometer with graphite monochromated MoKα radiation (λ＝0.7107(equation omitted)). The molecular structure was solved by direct methods and refined by full-matrix least-squares to a final R＝7.3% for 979 unique observed F/sub o/>4σ(F/sub o/) refections and 209 parameters.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.6-10
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• 1998

The complex[Cu(L)](ClO4)2 (1) (L:3,5,10,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized and structurally characterized. The complex 1 crystallizes in the monoclinic system, space group P21/n with cell parameters a=8.208(2)Å, b=13.339(6) Å, c=10.752(5) Å, β=111.02(4)˚ Z=2. Least-squares refinement of 1 led to a R(RW)factor of 0.073 (0.142) for 617 observed reflections of F0>40(F0). The crystal structure of 1 has a square-planar geometry and adopts the trans-III conformation.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.11-14
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• 1998

The synthesis and characterization of [Cu(L)](NCS)2 (1) (L:2,5,9,12-Tetramethyl-1,4,8,11-tetraazacyclotetradecane) are described. Crystal structure of 1 crystallizes in the monoclinic system, space group P21/a, a=7.622(2)Å, b=17.645(2) Å, c=8.223(3) Å, β=109.99(2)˚ Z=2. Least-squares refinement of 1 led to a R(Rw) factor of 0.087 (0.158) for 1535 observed reflections of F0>40(F0). The complex 1 has a square planar geometry with average Cu-N (secondary amines) bond distance of 2.030(4)Å. The axially disposed thiocyanate anions are not coordinated with Cu-N distances of 2.842(7) Å.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.63-68
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• 1995

The crystal structure of fenothiocarb(S-4-phenoxybutyl dimethylthiocarbamate), C13H19NO2S is monoclinic, space group P21/c, a=9.045(1)Å, b=14.577(2)Å, c=10.727(2)Å, β=103.56(1)°, Z=4, V=1375.20(6)Å3, Dc=1.23g/cm3, λ(Mo-Kα)=0.71069Å, μ=2.3cm-1, F(000)=544, temperature : 293±3K, R=0.049 for 1543 unique observed reflections. The structure was determined by direct method and refined by full-matrix least squares method. The molecules are contacted to the c axis with two fold screw and van der Waales force.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.93-97
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• 1995

Re(≡NC6H5)(PPh3)2CI3, I, reacted with, 1,2-bis(diphenylphosphino)ethane (DPPE) to give fac-Re(≡NC6H5)(DPPE)CI3, II. The product has been characterized by 1H-NMR, elemental analysis, and X-ray crystallography. II Crystalizes in the monoclinic space group Pc, with cell parameters a=11.083(3)Å, b=10.930(1)Å, c=14.081(2)Å, β=108.37(2)°, Z=2. Least-squares refinement of the structure led to a R(wR2)factor of 0.0254(0.0607) for 2888 unique reflections of I>2σ(I) and for 352 variables.

• Korean Journal of Crystallography
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• v.13 no.1
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• pp.12-16
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• 2002

The complex [Ni(L)](BDC)·4H₂O (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[16,4,O/sup 1.18/,O/sup 7.12/] docosane; BDC = 1,3-benzenedicarboxylate) has been synthesized and characterized by X-ray crystallography. Compound 1 crystallizes in the orthorhombic space group Pcnb, with a = 8.764(2) , b = 17.687(2) , c = 19.475(1) , V = 3018.7(8) ³, Z = 4, R₁, (wR₂) for 2148 observed reflections of [1>2σ(I) was 0.0822 (0.2236). Compound 1 is interconnected to give a three-dimensional network through weak hydrogen-bonding interactions.

• Korean Journal of Crystallography
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• v.13 no.1
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• pp.17-20
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• 2002

The complex [Zn(L)₂(H₂O)₄] (1) (L = isonicotinate) has been prepared and characterized by X-ray crystallography. Compound 1 crystallizes in the triclinic space group P1, with a = 6.9062(4) , b = 9.2618(7) , c = 6.3313(3) , α = 104.986(6)°, β = 112.865(4)°, γ = 96.213(6)°, V = 350.41(4) , Z = 1, R₁(wR₂) for 1225 observed reflections of [I > 2σ(I)] was 0.0209 (0.0591). The coordination environment of the zinc atom can be described as an octahedron in which the isonicotinato ligands are mutually trans. Compound 1 is also connected into a two-dimensional chain via hydrogen-bonds.

• Korean Journal of Crystallography
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• v.7 no.1
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• pp.20-29
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• 1996

Sr0.6Ca0.4CuO2 single crystal has been synthesized by flux method and characterized by the single crystal X-ray diffraction. The compound has the orthorhombic system and the space group is Cmcm(63), lattice parameters are a=3.4645Å, b=16.1417Å, c=3.8727Å. In the (Sr1-xCax)CuO2 compound the limit of Ca from substitution for Sr was determined by the change of bond length. For this, X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray fluorescence (EDAX) and electron probe micro-analysis (EPMA) were used. From the change of Cu-O bond length as the Ca substitution, we concluded the limit of Ca incorporation Xca≒0.73.

• Korean Journal of Crystallography
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• v.7 no.2
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• pp.113-119
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• 1996

Reaction of Re(O)(PPh3)2Cl3,I, with 2,3,4,5,6-pentafluoroaniline (C6F5NH2), produced Re(NC6F5)(PPh3)2Cl3, II. The product has been characterized by 1H-NMR, elemental analysis, and X-ray diffraction. II crystallizes in the orthorhombic system, space group Pna21 with cell parameters a=18.763Å, b=14.737(2)Å, c=16.707(3)Å, Z=4. Least-square refinement of the structure led to an R(wR2)factor of 0.0455(0.1148) for 3319 unique reflections of I > 2σ(I) and for 174 variables.