Reed Carly R, Garner Robert N, Brennessel William W
Department of Chemistry and Biochemistry, The College at Brockport, SUNY, Brockport, NY 14420, USA.
Department of Chemistry and Biochemistry, University of the Incarnate Word, San Antonio, Texas 78209, USA.
IUCrdata. 2021 Mar 23;6(Pt 3):0. doi: 10.1107/S241431462100287X. eCollection 2021 Mar.
The title compound, Ru(CHN)(CHN)(CHN) solvent, crystallizes in the triclinic space group with one dicationic Ru complex, two PF anions, and undefined solvent in the asymmetric unit. The cation and anions are linked N-H⋯F hydrogen bonding. One PF anion is disordered over two positions, with occupancies 0.634 (8) and 0.366 (8). The solvent, which is located in channels in the crystal, is highly disordered. Reflection contributions from the solvent were added to the calculated structure factors using the routine [Spek (2015) C, 9-18] of the program , which determined there to be 59 electrons in 264 Å treated this way per unit cell. Because the exact identity and amount of solvent were unknown, no solvent was included in the atom list or mol-ecular formula.
标题化合物Ru(CHN)(CHN)(CHN)溶剂合物，在三斜晶系空间群中结晶，不对称单元中有一个二价阳离子钌配合物、两个PF阴离子和不确定的溶剂。阳离子和阴离子通过N-H⋯F氢键相连。一个PF阴离子在两个位置上无序，占有率分别为0.634 (8)和0.366 (8)。位于晶体通道中的溶剂高度无序。使用程序的 routine [Spek (2015) C, 9-18]将来自溶剂的反射贡献添加到计算的结构因子中，该程序确定每个晶胞中以这种方式处理的264 Å中有59个电子。由于溶剂的确切身份和数量未知，原子列表或分子式中未包含溶剂。
