化学学报 ›› 1982, Vol. 40 ›› Issue (12): 1087-1093.    下一篇

论文

硝酸镧与大环聚醚l,8-萘并-16-冠-5络合物的分子和晶体的结构

万柱礼1, 饶子和1, 梁栋材1, 姚心侃2, 闫世平2, 王耕霖2   

  1. 1. 中国科学院生物物理研究所 北京;
    2. 南开大学化学系 天津
  • 投稿日期:1981-09-02 发布日期:2013-06-03
  • 通讯作者: 万柱礼

THE MOLECULAR AND CRYSTAL STRUCTURE OF THE COMPLEX OF 1, 8-NAPHTHO-16-CROWN-5 WITH LANTHANUM NITRATE

WAN ZHU-LI1, RAO ZI-HE1, LIANG DONG-CAI1, YAO XIN-KAN2, YAN SHI-PING2, WANG GENG-LIN2   

  1. 1. Institute of Biophysics, Academia Sinica, Beijing;
    2. Department of Chemistry, Nankai University, Tianjin
  • Received:1981-09-02 Published:2013-06-03

硝酸镧与大环聚醚1,8-萘并-16-冠-5络合物晶体属单斜晶系,空间群P21/n,晶胞中含四个分子,晶胞参数a=15.455Å,b=11.512Å,c=13.825Å,β=109.6°.强度数据由PW-1100四圆衍射仪收集,采用CuKa辐射.结构用重原子法求解,并用全矩阵最小二乘法对全部原子的坐标参数及其各向同性温度因子进行了修,最后的R因子为0.108.镧离子的配位数为11,其中5个醚氧在镧离子的一侧,La-O键长2.59~2.78Å,而三个双齿配位硝酸根中的6个氧在另一侧,La-O键长2.59~2.63Å.

The crystal of the complex of 1, 8-naphtho-l6-crown-5 with La(NO3)3 belongs to monoclinic system, apace group P21/n, with paameters of unit cell a=5.455Å, b=11.512Å,c=13.826Å,β=109.6° and Z=4.The intensity data of observed reflections were collected on the PW-1100 four-circle diff'raotometer with CuKa radiation.Its structure was determined by heavy-atom method and the coordinates and isotropic temperature factors of all atoms were refined by full-matrix least square method.The final R factor is 0.108.The coordination number of the lanthanum ion is eleven.The five ether oxygena are on ono aide of the La ion with La-O=2.78Å while six ozygena from three bidentate nitrates are on the other aide with La-O=2.59-2.63Å.