• Title/Summary/Keyword: Crystallography

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Crystal and Molecular Structure of Hexaimidazolidone Chromium(III) Nitrate, $[Cr(OC_3H_6N_2)_6](NO_3)_3\cdot4H_2O$ (Hexaimidazolidone Chromium(III) Nitrate, $[Cr(OC_3H_6N_2)_6](NO_3)_3.4H_2O$의 결정 및 분자 구조)

  • Suh, Jung-Sun;Lee, Kyu-Wang;Suh, Il-Hwan
    • Korean Journal of Crystallography
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    • v.11 no.2
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    • pp.71-74
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    • 2000
  • The title compound, [Cr(OC3H6N2)6](NO3)3·4H2O, was crystallized in the centrosymmetric space group P with two half molecules in an asymmetric unit, and the two complete molecules are generated by inversion symmetry located at Cr atoms. Therefore, the Cr atoms are coordinated to six imidazolidone ligands through the oxygen atoms, and both CrO6 units have a slightly distorted octahedral geometry.

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Structure of Cholesteryl Crotylcarbonate (Cholesteryl Crotylcarbonate의 구조)

  • Park, Young-Ja;Oh, Jung-Hee
    • Korean Journal of Crystallography
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    • v.11 no.2
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    • pp.84-88
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    • 2000
  • The crystal of cholesteryl crotylcarbonate was investigated by X-ray diffraction method. Crystallographic data for the title compound: P21, a=13.510(2)Å, b=11.843(2)Å, c=19.882(2)Å, β=106.88(1)°, Z=4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.125 for 2607 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesteryl-cholesteryl interactions between the symmetry-related B molecules and the cholesteryl-C(17) side chain of A molecules. There were also interactions between the C(17) side chain of B molecules and the crotylcarbonate chain in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate and cholesteryl propylcarbonate.

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Synthesis and Molecular Structure of Macrocyclic Chlorotetraamine Cadmium(II) Complex (거대고리 Chlorotetraamine Cadmium(II) 착물의 합성과 분자 구조)

  • 최기영;서일환;추금홍
    • Korean Journal of Crystallography
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    • v.11 no.3
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    • pp.133-136
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    • 2000
  • The molecular structure of [Cd(L)Cl]Cl·2H₂O(1)(L=3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,0/sup 1.18/,0/sup 7.12/]docosane) has been determined by X-ray diffraction. Crystallographic dta for 1: triclinic space group P1, a=9.671(1), b=10.784(1), c=12.679(2)Å, α=112.31(1), β=99.49(1), γ=93.95(1)°, V=1230.6(3)ų, Z=2, R=0.0779. The coordination of the cadmium atom is a distorted square-pyramid with four secondary amines of the macrocycle occupying the basal sites (Cd-N/sub av/=2.300(3)Å) and a terminal chlorine atom at the axial position with a Cd-Cl(1) distance of 2.463(2)Å.

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Crystal Growth of Yb:YAG by Floating Zone Method and Their Optical Properties (부유대용융법에 의한 Yb-YAG 단결정 성장 및 광특성)

  • 이성영;김병호;정석종;유영문
    • Korean Journal of Crystallography
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    • v.11 no.3
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    • pp.151-156
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    • 2000
  • Yb/YAG single crystals were grown from the melt composition of Y/sub 1-x/Yb/sub x/)₃Al/sub 5/O/sub 12/ where x equal to 5, 10, 15, 20, 25, 33, 50, 75 and 100 at % by floating zone method. Optimum growth parameters to get high quality single crystals were 3.5 mm/h of growth rate and 20 rpm of rotation rate under the N₂ atmosphere. After the growth, color of crystals was appeared with pale blue due to the lack of oxygen, but it was disappeared after annealing at 1450℃ for 2 hr. Absorption coefficients were linearly increased depending on the concentration of Yb/sup 3+/ ions. Broad emission band was measured in the range of 1020 to 1050 nm with the peak intensity at 1031 nm and 1051 nm because of ²F/sub 5/2/(1)→²F/sub 7/2/(3) and ²F/sub 5/2/(1)→²F/sub 7/2/(4) transition respectively. When Yb/sup 3+/ ions were substituted with high rates, there were tendency to decrease the measured fluorescent lifetime for Yb ions depending on the concentration of Yb/sup 3+/ ions.

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Effect of a Macroscopic Fluctuation in Pulling Rate on the Formation of OSF-ring Cz-Si SIngle Crystal (초크랄스키 실리콘 단결정에서 인상 속도의 거시적 변동이 OSF-링 형성에 미치는 영향)

  • Park, Bong-Mo;Seo, Gyeong-Ho;Kim, Gun
    • Korean Journal of Crystallography
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    • v.11 no.3
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    • pp.157-161
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    • 2000
  • In a 200nm Cz-Si crystal, a macroscopic fluctuation in pulling rate was intentionally introduced an then the variations of the pulling rate and the position of OSF-ring were compared each other. The formation behavior of OSF-ring in the effective volume, defined as the region between the growth interface position -α and the growth interface position +α, is most affected by the pulling rate fluctuation. To understand the correct effect of a macroscopic pulling rate fluctuation, its cumulative effect in the effective volume should be considered. A new concept of modeling for it was proposed here.

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A Study on Growth of Citrine (황수정 육성에 관한 연구)

  • 박로학;유영문
    • Korean Journal of Crystallography
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    • v.1 no.1
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    • pp.8-13
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    • 1990
  • Synthetic citrines were grown by hydrothermal method. For the establishment of grown conditions of large citrine, various types and/or amount of nutrients, seed orientations, mineralizers, colorants and temperature gradients were studied. For the evaluation of the quality of as grown citrine, color tone, crystal form, macro-and micro-defects were observed and crystal structure and absorption spectrums were analyzed. As a result, large sized citrines of 205mm L x 58mm W x 35mm T with excellent color tone and minium defects were grown.

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Structure of $[cis-ReCl_4(py)(N-C_6H_3-2,6-i-Pr_2)\cdot(NH_2-C_6H_3-2,6-i-Pr_2)]$ (py=pyridine) ($[cis-ReCl_4(py)(N-C_6H_3-2,6-i-Pr_2)\cdot(NH_2-C_6H_3-2,6-i-Pr_2)]$ 착물의 구조(py=pyridine))

  • 최남선;이순원
    • Korean Journal of Crystallography
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    • v.10 no.2
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    • pp.105-109
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    • 1999
  • Ar 기류 하에서 Re(N-C6H3-2,6-i-Pr2)2Cl3(py) (1)과 propionaldehyde (C2H5CHO)가 반응하여 생성된 혼합물에서, [cis-ReCl4(py)(N-C6H3-2,6-i-Pr2)·(NH2-C6H3-2,6-i-Pr2)] (2)가 분리되었다. 이 화합물의 구조가 X-ray 회절법으로 규명되었다. 착물 2의 결정학 자료: 단사정계 공간군 P21/n, a=11.555(1) Å, b=27.066(3) Å, c=11.881(1) Å, β=117.991(8)°, Z=4, R(wR2)=0.0332(0.0851.

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The Crystal Structure of 25,27-Bis(1-propyloxy)-5,11,17,23-tetrakis(1,1-dimethylethy) calix[4]arene-26,28-[(5',6')],(14',15')-dibenzo] crown-7, $C_{70}H_{90}O_9$ (25,27-Bis(1-propyloxy)-5,11,17,23-tetrakis(1,1-dimethylethy) calix[4]arene-26,28-[(5',6')],(14',15')-dibenzo] crown-7, $C_{70}H_{90}O_9$의 결정구조)

  • 김종성;추건홍;이창희;이진호;김문집;김진구;서일환
    • Korean Journal of Crystallography
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    • v.10 no.2
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    • pp.114-118
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    • 1999
  • The title compound consisting of a calix[4]arene molecule with four phenyl rings arranged alter-nately in anti-orientation fashion, two propyloxy groups, and four para-tert-butyl group, attached on the upper rim of calix[4]arene, and polyether chain with two phenyl rings attached on the lower rim of calix[4]arene offers a big cavity inside the molecule that might possess a potential for form-ing host-guest complexes.

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The Crystal Structure of [3,6-bis(6'-methyl-2'pyridyl)pyridazine]$ZnCl_2,(C_{16}H_{16}N_4\cdotZnCl_2)$ ([3,6-bis(6'-methyl-2'pyridyl)pyridazine]$ZnCl_2 (C_{16}H_{16}N_4\cdotZnCl_2)$의 결정 구조)

  • 김문집;이재혁;이한준;성낙도
    • Korean Journal of Crystallography
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    • v.10 no.2
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    • pp.119-124
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    • 1999
  • X-선 회절법을 이용하여 3,6-bis(6'-methyl-2'pyridyl)pyridazine을 리간드로 한 Zn(Ⅱ) 착물인 [3,6-bis(6'-methyl-2'pyridyl)pyridazine]ZnCl2 (C16H16N4·ZnCl2)의 결정구조를 규명하였다. 이 결정의 결정계는 Monoclinic이며 공간군은 P21/a이다. 단위포 상수는 a=15.053(7) Å, b=14.594(7) Å, c=7.628(3) Å이며, β=93.92(4)°, V=1671.9(13) Å3, T=293(2)K, Z=4, Dc=1.594 Mgm-3이다. 회절반점들의 세기는 Enraf-Nonius CAD-4 diffractometer로 얻었으며 Mo Kα선(λ=0.71073 Å)을 사용하였다. 분자구조는 직접법으로 풀었으며, Fo>4σ (Fo)인 1750개의 독립 회절 데이터에 대하여 최소승자법으로 정밀화하여 최종 신뢰도 값 R=8.31%을 얻었다.

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