• Korean Journal of Crystallography
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• v.17 no.2
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• pp.46-50
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• 2006

The dinuclear copper(II) complex {[Cu(pmea)Cl][Cu$(H_2O)_3]}Cl_2{\cdot} H_2O$ (1) (Hpmea=bis(2-pyridvlmethyl)amino-2-ethanoic acid) has been synthesized and characterized. It crystallizes in the monoclinic system $P2_1/c$, a=9.0008(6) ${\AA}$, b=28.0171(19) ${\AA}$, c=8.5590(6) ${\AA}$, $\beta$=104.2280(10)$^{\circ}$, V=2092.2(2) ${\AA}^3$, Z=4. Crystal structure of 1 reveals a syn-anti carboxylate-bridged dinuclear complex, in which the coordination environment around each copper atom exhibits a distorted square-pyramid and a distorted square plane, respectively.

• Journal of the Mineralogical Society of Korea
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• v.15 no.1
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• pp.44-58
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• 2002

A new polymorph of tridymite, an incommensurately modulated phase (IC phase), has been identified. While the symmetry of the IC lattice is same as that of the Ll phase, the geometry of the IC lattice structure is same as the basis of the L3 structure with a different modulation (modulation vector q=0.22 $c*_{H}$;$\lambda$ 37 ). On the other hand, the characteristic curved diffuse diffration observed from the Ll atoms could occur even at room phase suggests that the dynamic disordering of atoms, especially oxygen atoms could occur even at room temperature. The phase transition of Ll to L3 by grinding is gradual but very conspicuous: LllongrightarrowL1+IClongrightarrowIC+L3longrightarrowL3. However, it is revealed that real transition processes of individual grains are directly related to the local stress fields and preexisting microstructures.

• Journal of the Korean Chemical Society
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• v.34 no.2
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• pp.130-135
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• 1990

The title compound (C13H17NO2S) is monoclinic, space group P21/a, with a = 13.756 (3), b = 9.310(4), c = 21.305(3) $\AA$, $\beta$ = 95.0。, Z = 8, V = 2718.11 $\AA$3, Dc = 1.23$g·{\cdot}cm-3$, (Mo k$\alpha$) = 0.71069$\AA$,$\mu$ = 2.18 cm-1, F(000) = 1071.86, T = 298, R = 0.085 for 2935 unique observed reflections with I >2.0$\sigma$(I). The structure was solved by direct methods. The C-H bond lengths and the methyl groups are fixed and refined as their ideal geometry by allowing to ride on the parent atoms. Both molecules A and B have almost same structures except for two terminal ethyl groups. The ethylene-like skeleton including the nitro group in one molecule is nearly perpendicular to the plane of the methylbenzene group and two ethyl groups form a cis-type structure which has the dfferent orientations between two molecules; in the molecule A, two terminal methyl groups being the opposite directional arrangement against the plane of its skeleton, while in the B, with the same directional structure from its plane. The molecules in the crystal are packed together by non-bonded van der Waals forces.

• Korean Journal of Crystallography
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• v.9 no.1
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• pp.71-76
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• 1998

Crystal structure of Bis(ethylenediamine)palladium(II)-Bis(oxalato)palladate(II0 has been determined by X-ray crystallography. Crystal data : (Pd(C2H8N2)2.Pd(C2O4)2), Fw=509.04, Monocline, Space Group P21/c (no=14), a=6.959(2), b=13.506(2), c=15.339(2) Å, β=99.94(3), Z=4, V=1420 Å3, Dc=2.380 gcm-3, μ=25.46cm-1, F(000)=992. The intensity data were collected with Mo-Kα radiation (λ=0.7107 Å) on an automatic four-circle diffractometer with a graphite monochromater. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were R=0.021, Rw=0.030, Rall=0.032 abd S=2.1 for 1472 observed reflections. The essentially planar complex anions form diade of interplanar distances of 3.41 Å and their diads are stacked along aaxis with interplanar separation of 3.44 Å.

• Korean Journal of Crystallography
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• v.7 no.1
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• pp.57-63
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• 1996

The compound titanium (III) pyrophosphate, KTiP2O7 has been prepared and the crystal structure of the compound has been determined by the X-ray diffraction techniques. It crytallizes in the space group P21/a of the monoclinic system with four formula units in a cell of dimensions a=8.210(3), b=10.292(2), c=7.434(1)Å and β=106.71(2)°. The structure consists of the framework possessing corner-sharing octahedral TiO6 and pyrophosphate groups. As a result, a tunnel structure has been constructed and the K+ cations reside inside the tunnel. KTiP2O7 is isostructural with other trivalent metal pyrophosphates such as KAlP2O7 and RbTiP2O7 but the size difference of the alkali metals causes the variation in the structure. The classical charge balance of the compound can be described as [K+][Ti3+][P24O74-].

• Korean Journal of Crystallography
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• v.5 no.2
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• pp.78-84
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• 1994

The crystal structure of N-11-(benzotriazol-1-yl)butyl]-P-nitroaniline ( C16H17N502) has been determinedfromsingle crystal x-ray diffractionstudy:C16H17N502 monoclinic, P21/n, a=17542(2)A, b=10.755(3)A, c=8.891(1)A, β=104.58(1)˚, V=1623.4(5)A3, 7=293(2)K, Z=4, Cuka(A = 1.5418A) , The molecular structure was solved was by direct meshed refined by full-matrix least squares to a final R =0.0411 for 2248 unique observed [F≥4o(p) ] reflections and 255 Parameters. The crystal structure is stabilized by intermolecular N (11) -Hl 1 (Nl 1) ‥‥N (3) hydrogen bond with N(11) ‥‥ N(3) =3.136(2)A and N(11)-Hll(Nll)‥‥N(3) =164.1(15) ˚.

• Journal of the Korea Institute of Military Science and Technology
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• v.4 no.1
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• pp.198-206
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• 2001

The structure of Yb complex with 3-nitro-1,2,4-triazol-5-one(NTO), $[Yb(NTO)3(H2O)4].5H2O$ has been investigated by X-ray diffraction method. Crystallographic data for the title compound : monoclinic, C2/c, $a=36.925(2){\AA},$ b=6.6770(4)${\AA},$ c=25.6376(15)${\AA},$ {\beta}=130.978(1)^{\circ},$ V=4772.0(5)${\AA}^3,$ Z=8, $D_c,=1.952\; Mg/m^3.$ The intensity data were collected on a Broker SMART diffractometer equipped with a CCD area detector using Mo $K\alpha$ radiation. The structure was solved by direct method and refined by full-matrix least-squares calculations to a final R value of 0.0424 for 4727 independent reflections and 335 parameters. The three carbonyls of three NTO anions and four ligand water molecules which are formed the pentagonal bipyramid are coordinated with $Yb^{3+}$ and also five water molecules are included in the form of the crystal water in the molecular structure.

• Korean Journal of Crystallography
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• v.6 no.2
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• pp.103-110
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• 1995

The crystal structure of 1-Cyclopropyl-7-(2,7-diazabicyclo[3.3.0]oct-4-en-7-yl)-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (HCI salt) has been determined from single crystal x-ray diffraction study ; C20H21N3O4FCl, Monoclinic, C2/c, a=28.349(2)Å, b=11.941(2)Å, c=12.806(2)Å, β=96.428(9)°, V=4307.8Å3, T=296(2)K, Z=8, CuKα(λ=1.5418Å). The molecular structure was solved by direct method and refined by full-matrix least squares to a final R=4.96% for 2258 unique observed F0>4σ(F0) reflections and 293 parameters. The conformation of the molecule is stabilized by an intramolecular O(28)-H(28)…O(25) [2.517(4)Å, 156.7(447)°] hydrogen bond. Intermoleculars distances correspond to van der Waals contacts.

• Analytical Science and Technology
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• v.18 no.5
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• pp.391-395
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• 2005

The title complex, $[Cd(N_3)_2(2-ethylimidazole)_2]$, I, has been prepared and characterized by X-ray single crystallography. The complex I crystallizes in the monoclinic system, Cc space group with a = 16.200(3), b = 12.926(3), $c=7.007(1){\AA}$, ${\beta}=102.29(3)^{\circ}$, $V=1433.7(5){\AA}^3$, Z = 4, $R_1=0.0239$ and ${\omega}R_2=0.0604$ for 1874 independent reflections. Cd(II) atom has a slightly distorted octahedral coordination geometry, with four end-on (${\mu}-1$,1) bridging azido ligands and two 2-ethylimidazole ligands bonding through nitrogen atom. The central cadmium(II) atoms are run in parallel to the c-axis and are doubly bridged with neighboring cadmium(II) atoms by the end-on (${\mu}-1$,1) bridging azido ligands. Thus, this complex has a one-dimensional zigzag chain structure in which the 2-ethylimidazole is in the cis conformation.

• Korean Journal of Crystallography
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• v.17 no.2
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• pp.41-45
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• 2006

The complex $cis-[Co(13-aneN_4)(N_3)_2]Cl\cdot H_2O$ (1) (13-ane$N_4$ = 1,4,7,10-tetraazacyclotridecane) has been synthesized and structurally characterized by X-ray crystalloaraphy. It crystallizes in the orthorhombic system Pbca, a = 7.8282(4) ${\AA}$, b = 14.3197(7) ${\AA}$, c = 29.9021(15) ${\AA}$, V = 3351.9(3) ${\AA}^3$, Z = 8. The cobalt(III) ion in 1 is coordinated to four nitrogen atoms from the macrocycle and two azide ligands of cis position in a distorted octahedral environment, which forms the 1D polymer through hydrogen bonding contacts involving the cation, chloride anion and solvent water molecules.