Synthesis and Structure of Ethylenediammonium Chromate

Ethylenediammonium Chromate의 합성 및 결정구조 연구

  • NamGung, Hae (Department of Bio & Nano-Chemistry, Kookmin University) ;
  • Park, Sang-Su (Department of Bio & Nano-Chemistry, Kookmin University)
  • 남궁해 (국민대학교 자연대학 생명나노화학) ;
  • 박상수 (국민대학교 자연대학 생명나노화학)
  • Published : 2006.06.30

Abstract

The crystal structure of Ethylenediammonium chromate, $C_2H_{10}N_2{\cdot}CrO_4$, has been determined by X-ray crystallography. Crystal data: a=6.667(2), b=8.845(2), c:11.827(2) ${\AA}$, Orthorhombic, $P2_12_12_1$(Space Group No=19), Z=4, V=697.4(3) ${\AA}{^3},\;Dc=1.696gcm^{-3},\;{\mu}=1.594mm^{-1}$. 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 $R_1=0.0254,\;R_w=0.070,\;R_{all}=0.0255$ and S=1.133 for the observed 1195 reflections. Bond length and angles of two ions are similar to the previously reported data. The ethylenediammonium ion has trans-configuration and are linked through many hydrogen bonds with neighboring anions.

Ethylenediammonium chromate, $C_2H_{10}N_2{\cdot}CrO_4$ 결정구조는 a=6.667(2), b=8.845(2), c=11.827(2) ${\AA}$, 사방정계(Orthorhombic), 공간군 $P2_12_12_1$, 공간군 번호 19이며, Z=4, V=697.4(3) ${\AA}{^3},\;Dc=1.696gcm^{-3},\;{\mu}=1.594mm^{-1}$이었다. 구조분석은 중금속법으로 풀었으며, 최소 자승법으로 정밀화하였고, 최종 신뢰도 값들은 1204개의 회절반점에 대하여 $R_1=0.0254,\;R_w=0.070,\;R_{all}=0.0255$, S=1.133이었다. 두가지 이온들의 자료들은 기존 유사물질들의 자료에 상응하였으며, Ethylenediammonium 이온은 trans 구조로써 주위의 음이온과 사이에 많은 수소결합으로 연결되어 있다.

Keywords

References

  1. Berg, R. W. and Sotofte, I., Acta Chem. Scand., A30, 843 (1976)
  2. Ashida, T. and Hirokawa, S., Bull. Chem. Soc. Jpn., 34, 704 (1963)
  3. Sotofte, I., Acta. Chem. Scand., A30, 309 (1976)
  4. Dunand, A. and Gerdil, R., Acta Cryst., B31, 370 (1975)
  5. Lorenzo-Luis, P. A., Martin-Zarza, P., Gili, P., Arrieta, J. M., Germain, G. and Dupont, L., Acta Cryst., C51, 1073 (1995)
  6. Ko, K. Y, Namgung, H. and Park, S. S., J. Sci. Ins., Kookmin University, 20, 69 (2002)
  7. Rieskamp, H. and Mattes, R., Z. Naturforsch., 31b, 541 (1976)
  8. Perez, P. S., Acta Cryst., B32, 2064 (1976)
  9. Sakarai, K., J. Phys. Soc. Jpn., 16, 1205 (1961) https://doi.org/10.1143/JPSJ.16.1205
  10. Brencic, J. V. and Cotton, F. A., Inorg. Chem., 8, 2698 (1969) https://doi.org/10.1021/ic50082a033
  11. Frenz, B. A., Enraf-Nonius SDP-PLUS Structure Determination Package Version 3.0, EnrafNonius, Delft, The Netherlands (1985)
  12. Farrugia, L. J., WinGX V1.64.05, An Integrated System of Windows Program for Crystal Structure Solution, Refinement and Analysis of Single Crystal X-ray Diffraction Data. Dept. of Chemistry, University of Glasgow, U.K. (1999)
  13. Sheldrick, G. M., SHELXL-97: A Program for Structure Refinement, 1997; University of Goettingen, Germany
  14. Walker, A. J. and Stuart, D., Acta Cryst., A39, 158, (1983)
  15. Burnett, M. and Johnson, C. K., ORTEP-III. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA (1996)