• Korean Journal of Crystallography
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• v.12 no.1
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• pp.31-36
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• 2001

결정학의 핵심 과제는 위상(phase) 문제의 해결이다. 이 위상 묹를 해결하는 한 방법으로 요즘의 고속 컴퓨터를 사용하는 시행착오법(trial and error method)을 가상해 볼 수 있다. 간단한 예를 들면, centrosymmetric인 삼사정계(triclinic system)에 속한 비교적 작은 유기화합물인 경우, 전형적으로 3000개 정도의 회절 강도가 측정된다. Centrosymmetric 공간군(space group)의 구조 인자(structure factor)는 위상이 0°이거나 180°이기 때문에, 구조 인자는 "+"이거나 "-"부호를 가지므로 3000개 각각에 두 가지 부호를 배당할 수 있다. 이 3000개의 부호를 조합할 수 있는 개수는 2/sup 3000/개로 이 개수만큼의 Fourier 지도들을 작도하면 그 중의 하나는 옳은 것이다. Fourier 지도 한 개를 작도하는데 1분이 소요된다고 가정하면, 이들을 모두 계산하는데 2/sup 2981/년의 계산 시간이 소요된다. (참고로 2/sup 10/=1084). 따라서 시행착오법으로는 도저히 불가능함을 알 수 있다. 더구나, noncentrosymmetricc 공간군에서는 더욱 어렵게 된다. 그리하여 위상 문제를 해결하려는 많은 시도가 행해졌는데, 그것들 중의 하나가 Patterson 방법이다.

• Korean Journal of Crystallography
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• v.12 no.2
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• pp.88-91
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• 2001

The complex [NiL₃]Cl₂·3H₂O (1) (L=trans-1,2-diaminocyclohexane) has been synthesized and characterized by X-ray crystallography. The compound 1 crystallizes in the cubic space group P2₁3, with a=13.830(1) Å, V=2645.9(2) ų, Z=4, R₁(wR₂) for 1500 observed reflections of [I> 2σ(I)] was 0.0766 (0.2068).

• Korean Journal of Crystallography
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• v.10 no.1
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• pp.51-55
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• 1999

Cesium titanium(III) pyrophosphate 화합물인 CsTiP2O7을 합성하고 X절 회절법을 이용하여 그 결정구조를 해석하였다. 이물질은 단사정계의 P21/a 공간군으로 결정화되었고 a=8.369(2) , b=10.208(2) , c=7.752(1) , β=104.77(2)o, V=640.4(2) 3, and Z=4이다. 이 물질의 구조는 모서리를 공유하고 있는 TiO6 팔면체와 P2O7 pyrophosphate group들로 구성된 framework로 구성되어 있으며 그 결과로 형성된 tunnel 안에는 Cs+이온이 존재한다. CsTiP2O7은 ATiP2O7(A=K, Rb)와 KAIP2O7 그리고 AMoP2O7(A=K, Rb, Cs)등 다른 +3금속 pyrophosphate들로 유사한 구조를 가지고 있다. 이 물질은 [Cs+][Ti3+][P2O74-]의 식으로 표현할 수 있다.

• Korean Journal of Crystallography
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• v.16 no.1
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• pp.1-5
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• 2005

The structure of the title compound has been determined by single-crystal X-ray diffraction work. The crystals are orthorhombic, space group $Pna2_1$ with a=11.095(3), b=21.834(7), c=12.574(4) $\AA$, and R1=0.0667. The average carbon bond length in aromaticity In the molecule is 1.386(1) $\AA$ and the average single bond length linking the central benEene ring and peripheral phenyl rings is 1.491(3) $\AA$. The average dihedral angle between the central benzene ring and each of six peripheral phenyl rings is $67.1(1)^{\circ}$ and the average dihedral angle between neighboring two phenyl rings is $55.0(1)^{\circ}$. Thus the molecule adopts a quasi-propeller configuration with approximate six-fold rotation symmetry.

• Korean Journal of Crystallography
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• v.11 no.1
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• pp.42-45
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• 2000

The complex [Zn(L)Cl](H₂O)(ClO₄) (1) (L=3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,O/sup 1.18/,O/sup 7.12/]docosane) has been prepared and characterized by X-ray crystallography. 1 crystallizes in the monoclinic space group P2₁/c, with a=8.883(1), b=19.319(9), c=15.124(2)Å, β=101.65(1)°, V=2542.0(13) ų, Z=4, R₁(wR₂) for 4457 observed reflections of [I>2σ(I)] was 0.0640(0.1557). The coordination geometry around the zinc is a distorted square-pyramid with four nitrogen atoms of the macrocycle occupying the basal sites(Zn-N/sub av/=2.131(2)Å) and a chloride atom at the axial position with the Zn-Cl distance of 2.315(2)Å.

• Korean Journal of Crystallography
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• v.11 no.4
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• pp.231-237
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• 2000

CMR Materials RE/sub 1-x/Ca/sub x/MnO₃(RE=La, Nd, A=Ca, Sr) were grown using the floating zone image furnace with halogen lamps as heat source. The growth condition was at 2∼10 mm/hr growth rate in air atmosphere, were 445∼50 rpm and 20∼25 rpm of rotation rate of feedrod and growing crystal, respectively. The grown crystals showed shiny black color and annealed at 1500℃ in a box furnace to release the residual stress during cooling. Characterization analyses of the crystal were carried out using XRD and SEM. The crystal structure of Nd/sub 0.7/Ca/sub 0.3/MnO₃ was analyzed with smart CCD XRD was lattice parameter of a=5.425(4)Å, b=5.434(4)Å, and c=7.712(5)Å, an orthorombic system with space group of pbnm.

• Korean Journal of Crystallography
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• v.14 no.2
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• pp.110-114
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• 2003

LiAl/sub 0.24/Mn/sub 1.76/O/sub 4-y/S/sub y/ (y=0, 0.02) were synthesized by the sol-gel method. Both structures were refined by Rietveld method, its structure refined as a cubic spinel, space group Fd-3m, a=8.17937(30) Å and 8.18331(19) Å respectively. Though it has been made a charge/discharge experiment above 20 times, there was no change of 3 V/4 V capacity degradation. It was considered that the volume change of MnO/sub 6/ octahedron induced by sulfur substitution plays a key role in keeping the 3 V/4 V capacity. The refined composition of the compound could be confirmed with the ICP analysis.

• Korean Journal of Crystallography
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• v.12 no.2
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• pp.92-96
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• 2001

The configuration of the title compound, $C_{52}H_{70}Cl_2O_6$, synthesized from a mixture of p-tert-calix[4]arene, tosylate of 2-(2-chloroethoxy)ethanol, $K_2CO_3$ and acetonitrile has a distorted cone conformation and the molecule is stabilized by two intramolecular hydrogen bonds between oxy-gen atoms of hydroxy groups and dichloride tails.

• Journal of Integrative Natural Science
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• v.9 no.4
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• pp.255-260
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• 2016

The crystal structure of the saliciline derivatives N,N'-bis(3-chloro-2-methylsalicylidene)-1,4-butanediamine ($C_{20}H_{22}Cl_2N_2O_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the triclinic space group $P{\bar{i}}$ with unit cell dimension $a=4.6085(3){\AA}$, $b=5.9747(3){\AA}$ and $c=5.9747(3){\AA}$ [${\alpha}=83.889(4)^{\circ}$, ${\beta}=86.744(5)^{\circ}$ and ${\gamma}=82.085(5)^{\circ}$]. The title compound is essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...N intra molecular interactions

• Journal of Integrative Natural Science
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• v.9 no.4
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• pp.261-267
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• 2016

The crystal structure of the saliciline derivatives 4-chloro-2{[(2-hydroxy-5-methylphenyl)amino]methyl}5-methylphenol ($C_{15}H_{15}ClNO_2$) has been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group P21/c with unit cell dimension $a=11.5241(2){\AA}$, $b=8.733(2){\AA}$ and $c=13.649(2){\AA}$ [${\alpha}=90^{\circ}$, ${\beta}=130.876(2)^{\circ}$ and ${\gamma}=90^{\circ}$]. the title compound are essentially planar conformation. The compound lies across a crystallographic inversion centre and adopts E configurations with respect to the C-N bonds. The crystal packing of the molecules of compound is stabilized through weak O-H...O inter molecular interactions.