手性分子的不平衡堆积和三(三苯基膦)亚硝基铱的晶体和分子结构的进一步例子

V. Albano, P. L. Bellon, M. Sansoni
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引用次数: 35

摘要

CuCIL3、CuBrL3和Ir(NO)L3的晶体与Pt(CO)L3(L = PPh3)的三角晶型是同构的,这是手性分子不平衡堆积的进一步例子。Ir(NO)(PPh3)3的结构用反相法测定了1929次独立反射。该配合物在空间群P3中结晶,具有尺寸为a= 19.94(1)和c= 10·780(5)a的单体胞,Z= 3。利用全矩阵最小二乘对结构进行了细化,最终R为0·0475。晶体样品的绝对构型已被明确地确定,并指定为R,S,S。存在于细胞中的三个独立分子各自具有C3对称,并显示出几乎相同的构象。Ir-N、Ir-P和N-O键长分别为1.67(2)、2.31(1)和1.24 (3)A。N-Ir-P角和P-Ir-P角分别为116·8(5)和101·3(6)°;有间接证据表明Ir-N-O相互作用呈线性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Further examples of unbalanced packing of chiral molecules and the crystal and molecular structure of tris(triphenylphosphine)nitrosyl-iridium
Crystals of CuCIL3, CuBrL3, and Ir(NO)L3, isomorphous with the trigonal polymorph of Pt(CO)L3(L = PPh3), represent further examples of unbalanced packing of chiral molecules. The structure of Ir(NO)(PPh3)3 has been fully determined from 1929 independent reflexions measured by counter methods. This complex crystallizes in space group P3 and has a unit cell of dimensions: a= 19·94(1), and c= 10·780(5)A, with Z= 3. The structure has been refined by full matrix least-squares to a final R of 0·0475. The absolute configuration of the crystal sample has been determined unambiguously and designated R,S,S. The three independent molecules present in the unit cell each possess C3 symmetry and display almost the same conformation. The Ir–N, Ir–P, and N–O bond lengths are 1·67(2), 2·31(1), and 1·24(3)A. The N–Ir–P and P–Ir–P angles are 116·8(5) and 101·3(6)°; there is indirect evidence of linearity in the Ir–N–O interaction.
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